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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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).