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

C17H25N7 — CID 171994115

IUPACN-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-3-yl]-4-methylpyrimidin-2-amine
SMILESCc1ccnc(NC2CCCN(Cc3cnc(N(C)C)nc3)C2)n1
InChIInChI=1S/C17H25N7/c1-13-6-7-18-16(21-13)22-15-5-4-8-24(12-15)11-14-9-19-17(20-10-14)23(2)3/h6-7,9-10,15H,4-5,8,11-12H2,1-3H3,(H,18,21,22)
InChIKeyYVDGSGNURCOPBI-UHFFFAOYSA-N
MW327.44 g/mol
LogP1.72
Rot. Bonds5

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

N-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-3-yl]-4-methylpyrimidin-2-amine (PubChem CID 171994115) 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]-4-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-3-yl]-4-methylpyrimidin-2-amine
PubChem CID171994115
Molecular FormulaC17H25N7
Molecular Weight327.44 g/mol
Exact Mass327.22
IUPAC NameN-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-3-yl]-4-methylpyrimidin-2-amine
SMILESCc1ccnc(NC2CCCN(Cc3cnc(N(C)C)nc3)C2)n1
InChIInChI=1S/C17H25N7/c1-13-6-7-18-16(21-13)22-15-5-4-8-24(12-15)11-14-9-19-17(20-10-14)23(2)3/h6-7,9-10,15H,4-5,8,11-12H2,1-3H3,(H,18,21,22)
InChIKeyYVDGSGNURCOPBI-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

4-[[3-[(4-methylpyrimidin-2-yl)amino]piperidin-1-yl]methyl]benzonitrile
CID 171994900
N-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-3-yl]-4-methylpyrimidin-2-amine
CID 172891849
N-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-3-yl]-6-methylpyrimidin-4-amine
CID 172881008
N-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-3-yl]-4-methylpyrimidin-2-amine
CID 172881651
4-N,4-N-dimethyl-2-N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]pyrimidine-2,4-diamine
CID 172881622
2-N-[1-[(3,5-difluoro-4-pyridinyl)methyl]piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine
CID 171996730
2-N-[1-[(2-methoxy-4-pyridinyl)methyl]piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine
CID 171997332
N,N-dimethyl-5-[[(2R)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]methyl]pyrimidin-2-amine
CID 124964770
4-N,4-N-dimethyl-2-N-[1-[(4-nitrophenyl)methyl]piperidin-3-yl]pyrimidine-2,4-diamine
CID 172893174
N-[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-3-yl]-4-methylpyrimidin-2-amine
CID 172891915
N-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]pyrrolidin-3-yl]acetamide
CID 77097348
4-N,4-N-dimethyl-2-N-[1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]pyrimidine-2,4-diamine
CID 171995992

Frequently Asked Questions

What is the IUPAC name of N-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-3-yl]-4-methylpyrimidin-2-amine?
The IUPAC name of N-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-3-yl]-4-methylpyrimidin-2-amine (CID 171994115) is N-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-3-yl]-4-methylpyrimidin-2-amine.
What is the SMILES notation for N-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-3-yl]-4-methylpyrimidin-2-amine?
The canonical SMILES for N-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-3-yl]-4-methylpyrimidin-2-amine is Cc1ccnc(NC2CCCN(Cc3cnc(N(C)C)nc3)C2)n1.
What is the InChIKey of N-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-3-yl]-4-methylpyrimidin-2-amine?
The InChIKey is YVDGSGNURCOPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7/c1-13-6-7-18-16(21-13)22-15-5-4-8-24(12-15)11-14-9-19-17(20-10-14)23(2)3/h6-7,9-10,15H,4-5,8,11-12H2,1-3H3,(H,18,21,22).
What are the key properties of N-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-3-yl]-4-methylpyrimidin-2-amine?
N-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-3-yl]-4-methylpyrimidin-2-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]-4-methylpyrimidin-2-amine is sourced from PubChem (CID 171994115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).