N-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-3-yl]-6-methylpyrimidin-4-amine

C17H25N7 — CID 172881008

IUPACN-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-3-yl]-6-methylpyrimidin-4-amine
SMILESCc1cc(NC2CCCN(Cc3cnc(N(C)C)nc3)C2)ncn1
InChIInChI=1S/C17H25N7/c1-13-7-16(21-12-20-13)22-15-5-4-6-24(11-15)10-14-8-18-17(19-9-14)23(2)3/h7-9,12,15H,4-6,10-11H2,1-3H3,(H,20,21,22)
InChIKeyHUADIKJMVNZABP-UHFFFAOYSA-N
MW327.44 g/mol
LogP1.72
Rot. Bonds5

About N-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-3-yl]-6-methylpyrimidin-4-amine

N-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-3-yl]-6-methylpyrimidin-4-amine (PubChem CID 172881008) has the molecular formula C17H25N7 and a molecular weight of 327.44 g/mol. Its IUPAC name is N-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-3-yl]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-3-yl]-6-methylpyrimidin-4-amine
PubChem CID172881008
Molecular FormulaC17H25N7
Molecular Weight327.44 g/mol
Exact Mass327.22
IUPAC NameN-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-3-yl]-6-methylpyrimidin-4-amine
SMILESCc1cc(NC2CCCN(Cc3cnc(N(C)C)nc3)C2)ncn1
InChIInChI=1S/C17H25N7/c1-13-7-16(21-12-20-13)22-15-5-4-6-24(11-15)10-14-8-18-17(19-9-14)23(2)3/h7-9,12,15H,4-6,10-11H2,1-3H3,(H,20,21,22)
InChIKeyHUADIKJMVNZABP-UHFFFAOYSA-N
XLogP1.72
TPSA70.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.44
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-methyl-N-[1-[(4-methylphenyl)methyl]piperidin-3-yl]pyrimidin-4-amine
CID 171998278
6-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-3-yl]pyrimidin-4-amine
CID 171998279
N-[4-[[3-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]phenyl]acetamide
CID 171996910
N-[1-(2,2-dimethylpropyl)piperidin-3-yl]-6-methylpyrimidin-4-amine
CID 171994731
N-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-3-yl]-4-methylpyrimidin-2-amine
CID 171994115
6-N-[1-[(4-bromophenyl)methyl]piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 171998734
6-methyl-N-[1-(pyrazin-2-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 171996018
N-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]pyrrolidin-3-yl]acetamide
CID 77097348
6-N-[1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-3-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 172893220
4-N,4-N-dimethyl-6-N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]pyrimidine-4,6-diamine
CID 172881623
6-methyl-N-[1-[(2-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine
CID 171995148
N,N-dimethyl-5-[[(6S)-6-[(6-methylpyrimidin-4-yl)methyl]-1,4-oxazepan-4-yl]methyl]pyrimidin-2-amine
CID 125012611

Frequently Asked Questions

What is the IUPAC name of N-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-3-yl]-6-methylpyrimidin-4-amine?
The IUPAC name of N-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-3-yl]-6-methylpyrimidin-4-amine (CID 172881008) is N-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-3-yl]-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-3-yl]-6-methylpyrimidin-4-amine?
The canonical SMILES for N-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-3-yl]-6-methylpyrimidin-4-amine is Cc1cc(NC2CCCN(Cc3cnc(N(C)C)nc3)C2)ncn1.
What is the InChIKey of N-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-3-yl]-6-methylpyrimidin-4-amine?
The InChIKey is HUADIKJMVNZABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7/c1-13-7-16(21-12-20-13)22-15-5-4-6-24(11-15)10-14-8-18-17(19-9-14)23(2)3/h7-9,12,15H,4-6,10-11H2,1-3H3,(H,20,21,22).
What are the key properties of N-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-3-yl]-6-methylpyrimidin-4-amine?
N-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-3-yl]-6-methylpyrimidin-4-amine has a molecular weight of 327.44 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-3-yl]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 172881008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).