N-[1-[4-[2-[(3-aminocyclobutyl)methyl-methylamino]propyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide

C24H35N7O2 — CID 154652351

IUPACN-[1-[4-[2-[(3-aminocyclobutyl)methyl-methylamino]propyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide
SMILESCC(Cc1ccc(-n2ccc(NC(=O)N3CCNCC3)nc2=O)cc1)N(C)CC1CC(N)C1
InChIInChI=1S/C24H35N7O2/c1-17(29(2)16-19-14-20(25)15-19)13-18-3-5-21(6-4-18)31-10-7-22(28-24(31)33)27-23(32)30-11-8-26-9-12-30/h3-7,10,17,19-20,26H,8-9,11-16,25H2,1-2H3,(H,27,28,32,33)
InChIKeyRTIWRVAAROSHSR-UHFFFAOYSA-N
MW453.59 g/mol
LogP1.27
Rot. Bonds7

About N-[1-[4-[2-[(3-aminocyclobutyl)methyl-methylamino]propyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide

N-[1-[4-[2-[(3-aminocyclobutyl)methyl-methylamino]propyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide (PubChem CID 154652351) has the molecular formula C24H35N7O2 and a molecular weight of 453.59 g/mol. Its IUPAC name is N-[1-[4-[2-[(3-aminocyclobutyl)methyl-methylamino]propyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[1-[4-[2-[(3-aminocyclobutyl)methyl-methylamino]propyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide
PubChem CID154652351
Molecular FormulaC24H35N7O2
Molecular Weight453.59 g/mol
Exact Mass453.29
IUPAC NameN-[1-[4-[2-[(3-aminocyclobutyl)methyl-methylamino]propyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide
SMILESCC(Cc1ccc(-n2ccc(NC(=O)N3CCNCC3)nc2=O)cc1)N(C)CC1CC(N)C1
InChIInChI=1S/C24H35N7O2/c1-17(29(2)16-19-14-20(25)15-19)13-18-3-5-21(6-4-18)31-10-7-22(28-24(31)33)27-23(32)30-11-8-26-9-12-30/h3-7,10,17,19-20,26H,8-9,11-16,25H2,1-2H3,(H,27,28,32,33)
InChIKeyRTIWRVAAROSHSR-UHFFFAOYSA-N
XLogP1.27
TPSA108.52 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.59
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[4-[2-[[(1S,3S)-3-aminocyclohexyl]methyl-methylamino]propyl]phenyl]-2-oxopyrimidin-4-yl]-4-(2-amino-2-methylpropanoyl)piperazine-1-carboxamide;hydrochloride
CID 154652196
N-[1-[4-[2-[(3-aminocyclobutyl)methyl-ethylamino]propyl]phenyl]-2-oxopyrimidin-4-yl]-4-(2-amino-2-methylpropanoyl)piperazine-1-carboxamide
CID 154652123
N-[1-[4-[[[(1S,3R)-3-aminocyclohexyl]-methylamino]methyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide
CID 168747641
N-[1-[4-[(2S)-2-amino-3-(3-aminoazetidin-1-yl)-3-oxopropyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide
CID 155008500
N-[1-[4-[2-[(6-aminospiro[3.3]heptan-2-yl)amino]propyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide
CID 167383382
N-[1-[4-[[4-(1-aminoethyl)piperidin-1-yl]methyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide
CID 154651199
N-[1-[4-[2-[4-(azetidin-3-yl)piperidin-1-yl]propyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide
CID 154651843
N-[1-[4-[[(4-aminocyclohexyl)amino]methyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide
CID 154652100
N-[1-[4-[2-[(4-aminocyclohexyl)amino]ethyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide
CID 154651586
N-[1-[4-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide
CID 154651648
N-[1-[4-[2-[[(3R)-3-aminocyclohexyl]methyl-ethylamino]propyl]phenyl]-2-oxopyrimidin-4-yl]-4-(2-amino-2-methylpropanoyl)piperazine-1-carboxamide
CID 154651589
N-[1-[4-[(3-aminopiperidin-1-yl)methyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide
CID 155006466

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[2-[(3-aminocyclobutyl)methyl-methylamino]propyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide?
The IUPAC name of N-[1-[4-[2-[(3-aminocyclobutyl)methyl-methylamino]propyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide (CID 154652351) is N-[1-[4-[2-[(3-aminocyclobutyl)methyl-methylamino]propyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide.
What is the SMILES notation for N-[1-[4-[2-[(3-aminocyclobutyl)methyl-methylamino]propyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide?
The canonical SMILES for N-[1-[4-[2-[(3-aminocyclobutyl)methyl-methylamino]propyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide is CC(Cc1ccc(-n2ccc(NC(=O)N3CCNCC3)nc2=O)cc1)N(C)CC1CC(N)C1.
What is the InChIKey of N-[1-[4-[2-[(3-aminocyclobutyl)methyl-methylamino]propyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide?
The InChIKey is RTIWRVAAROSHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N7O2/c1-17(29(2)16-19-14-20(25)15-19)13-18-3-5-21(6-4-18)31-10-7-22(28-24(31)33)27-23(32)30-11-8-26-9-12-30/h3-7,10,17,19-20,26H,8-9,11-16,25H2,1-2H3,(H,27,28,32,33).
What are the key properties of N-[1-[4-[2-[(3-aminocyclobutyl)methyl-methylamino]propyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide?
N-[1-[4-[2-[(3-aminocyclobutyl)methyl-methylamino]propyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide has a molecular weight of 453.59 g/mol, XLogP of 1.27, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[2-[(3-aminocyclobutyl)methyl-methylamino]propyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide is sourced from PubChem (CID 154652351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).