N-cyclopropyl-6-methyl-N-[1-(3-methylquinoxalin-2-yl)piperidin-4-yl]pyrimidin-4-amine

C22H26N6 — CID 126890518

IUPACN-cyclopropyl-6-methyl-N-[1-(3-methylquinoxalin-2-yl)piperidin-4-yl]pyrimidin-4-amine
SMILESCc1cc(N(C2CC2)C2CCN(c3nc4ccccc4nc3C)CC2)ncn1
InChIInChI=1S/C22H26N6/c1-15-13-21(24-14-23-15)28(17-7-8-17)18-9-11-27(12-10-18)22-16(2)25-19-5-3-4-6-20(19)26-22/h3-6,13-14,17-18H,7-12H2,1-2H3
InChIKeyBAEPXWORUAUEMJ-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.67
Rot. Bonds4

About N-cyclopropyl-6-methyl-N-[1-(3-methylquinoxalin-2-yl)piperidin-4-yl]pyrimidin-4-amine

N-cyclopropyl-6-methyl-N-[1-(3-methylquinoxalin-2-yl)piperidin-4-yl]pyrimidin-4-amine (PubChem CID 126890518) has the molecular formula C22H26N6 and a molecular weight of 374.49 g/mol. Its IUPAC name is N-cyclopropyl-6-methyl-N-[1-(3-methylquinoxalin-2-yl)piperidin-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-6-methyl-N-[1-(3-methylquinoxalin-2-yl)piperidin-4-yl]pyrimidin-4-amine
PubChem CID126890518
Molecular FormulaC22H26N6
Molecular Weight374.49 g/mol
Exact Mass374.22
IUPAC NameN-cyclopropyl-6-methyl-N-[1-(3-methylquinoxalin-2-yl)piperidin-4-yl]pyrimidin-4-amine
SMILESCc1cc(N(C2CC2)C2CCN(c3nc4ccccc4nc3C)CC2)ncn1
InChIInChI=1S/C22H26N6/c1-15-13-21(24-14-23-15)28(17-7-8-17)18-9-11-27(12-10-18)22-16(2)25-19-5-3-4-6-20(19)26-22/h3-6,13-14,17-18H,7-12H2,1-2H3
InChIKeyBAEPXWORUAUEMJ-UHFFFAOYSA-N
XLogP3.67
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-[1-(3-methylquinoxalin-2-yl)piperidin-4-yl]pyridin-2-amine
CID 155976483
N-cyclopropyl-6-methyl-N-[1-(1,3-oxazol-2-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126890697
N-cyclopropyl-6-methyl-N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126890525
3-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-1-methylpyrazin-2-one
CID 126890517
N-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]-N-cyclopropyl-6-methylpyrimidin-4-amine
CID 126890479
N-cyclopropyl-6-methyl-N-(1-quinolin-8-ylsulfonylpiperidin-4-yl)pyrimidin-4-amine
CID 126890465
N-[1-(1H-benzimidazol-2-yl)piperidin-4-yl]-N,6-dimethylpyrimidin-4-amine
CID 126889305
2-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-3-methylquinoxaline
CID 139027361
2-[3-[methyl-(6-methylpyrimidin-4-yl)amino]pyrrolidin-1-yl]quinoline-3-carbonitrile
CID 171997362
2-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-3-methylpyrido[3,4-d]pyrimidin-4-one
CID 126890774
4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(3-methyl-2-pyridinyl)piperidin-4-yl]pyrimidine-4,6-diamine
CID 171996875
N-cyclopropyl-N-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-6-methylpyrimidin-4-amine
CID 126890717

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-methyl-N-[1-(3-methylquinoxalin-2-yl)piperidin-4-yl]pyrimidin-4-amine?
The IUPAC name of N-cyclopropyl-6-methyl-N-[1-(3-methylquinoxalin-2-yl)piperidin-4-yl]pyrimidin-4-amine (CID 126890518) is N-cyclopropyl-6-methyl-N-[1-(3-methylquinoxalin-2-yl)piperidin-4-yl]pyrimidin-4-amine.
What is the SMILES notation for N-cyclopropyl-6-methyl-N-[1-(3-methylquinoxalin-2-yl)piperidin-4-yl]pyrimidin-4-amine?
The canonical SMILES for N-cyclopropyl-6-methyl-N-[1-(3-methylquinoxalin-2-yl)piperidin-4-yl]pyrimidin-4-amine is Cc1cc(N(C2CC2)C2CCN(c3nc4ccccc4nc3C)CC2)ncn1.
What is the InChIKey of N-cyclopropyl-6-methyl-N-[1-(3-methylquinoxalin-2-yl)piperidin-4-yl]pyrimidin-4-amine?
The InChIKey is BAEPXWORUAUEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6/c1-15-13-21(24-14-23-15)28(17-7-8-17)18-9-11-27(12-10-18)22-16(2)25-19-5-3-4-6-20(19)26-22/h3-6,13-14,17-18H,7-12H2,1-2H3.
What are the key properties of N-cyclopropyl-6-methyl-N-[1-(3-methylquinoxalin-2-yl)piperidin-4-yl]pyrimidin-4-amine?
N-cyclopropyl-6-methyl-N-[1-(3-methylquinoxalin-2-yl)piperidin-4-yl]pyrimidin-4-amine has a molecular weight of 374.49 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-methyl-N-[1-(3-methylquinoxalin-2-yl)piperidin-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 126890518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).