6-methyl-N-[1-[(2-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine

C16H21N5 — CID 171995148

IUPAC6-methyl-N-[1-[(2-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine
SMILESCc1cc(NC2CCN(Cc3cccnc3C)C2)ncn1
InChIInChI=1S/C16H21N5/c1-12-8-16(19-11-18-12)20-15-5-7-21(10-15)9-14-4-3-6-17-13(14)2/h3-4,6,8,11,15H,5,7,9-10H2,1-2H3,(H,18,19,20)
InChIKeyWUMJNVXBGZDLNN-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.17
Rot. Bonds4

About 6-methyl-N-[1-[(2-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine

6-methyl-N-[1-[(2-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine (PubChem CID 171995148) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is 6-methyl-N-[1-[(2-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-N-[1-[(2-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine
PubChem CID171995148
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC Name6-methyl-N-[1-[(2-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine
SMILESCc1cc(NC2CCN(Cc3cccnc3C)C2)ncn1
InChIInChI=1S/C16H21N5/c1-12-8-16(19-11-18-12)20-15-5-7-21(10-15)9-14-4-3-6-17-13(14)2/h3-4,6,8,11,15H,5,7,9-10H2,1-2H3,(H,18,19,20)
InChIKeyWUMJNVXBGZDLNN-UHFFFAOYSA-N
XLogP2.17
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(2,3-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-6-methylpyrimidin-4-amine
CID 172891872
6-methyl-N-[1-(pyrazin-2-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 171996018
N,6-dimethyl-N-[1-[(2-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine
CID 171995113
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-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine
CID 171994913
6-methyl-N-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126887665
N-[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-6-methoxypyrimidin-4-amine
CID 171995465
6-N-[1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 171999428
N-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-3-yl]-6-methylpyrimidin-4-amine
CID 172881008
1-[2-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]ethyl]pyrimidin-2-one
CID 126887717
N-[1-(2,2-dimethylpropyl)piperidin-3-yl]-6-methylpyrimidin-4-amine
CID 171994731

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[1-[(2-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine?
The IUPAC name of 6-methyl-N-[1-[(2-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine (CID 171995148) is 6-methyl-N-[1-[(2-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-N-[1-[(2-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine?
The canonical SMILES for 6-methyl-N-[1-[(2-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine is Cc1cc(NC2CCN(Cc3cccnc3C)C2)ncn1.
What is the InChIKey of 6-methyl-N-[1-[(2-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine?
The InChIKey is WUMJNVXBGZDLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c1-12-8-16(19-11-18-12)20-15-5-7-21(10-15)9-14-4-3-6-17-13(14)2/h3-4,6,8,11,15H,5,7,9-10H2,1-2H3,(H,18,19,20).
What are the key properties of 6-methyl-N-[1-[(2-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine?
6-methyl-N-[1-[(2-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine has a molecular weight of 283.38 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[1-[(2-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 171995148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).