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

C16H21N5 — CID 139001184

IUPAC4-methyl-N-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrimidin-2-amine
SMILESCc1ccnc(NCc2ccc(C)nc2N2CCCC2)n1
InChIInChI=1S/C16H21N5/c1-12-5-6-14(15(19-12)21-9-3-4-10-21)11-18-16-17-8-7-13(2)20-16/h5-8H,3-4,9-11H2,1-2H3,(H,17,18,20)
InChIKeyCYZHZDYXOFYMEZ-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.70
Rot. Bonds4

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

4-methyl-N-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrimidin-2-amine (PubChem CID 139001184) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is 4-methyl-N-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-N-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrimidin-2-amine
PubChem CID139001184
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC Name4-methyl-N-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrimidin-2-amine
SMILESCc1ccnc(NCc2ccc(C)nc2N2CCCC2)n1
InChIInChI=1S/C16H21N5/c1-12-5-6-14(15(19-12)21-9-3-4-10-21)11-18-16-17-8-7-13(2)20-16/h5-8H,3-4,9-11H2,1-2H3,(H,17,18,20)
InChIKeyCYZHZDYXOFYMEZ-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrimidin-2-amine?
The IUPAC name of 4-methyl-N-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrimidin-2-amine (CID 139001184) is 4-methyl-N-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-N-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrimidin-2-amine?
The canonical SMILES for 4-methyl-N-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrimidin-2-amine is Cc1ccnc(NCc2ccc(C)nc2N2CCCC2)n1.
What is the InChIKey of 4-methyl-N-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrimidin-2-amine?
The InChIKey is CYZHZDYXOFYMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c1-12-5-6-14(15(19-12)21-9-3-4-10-21)11-18-16-17-8-7-13(2)20-16/h5-8H,3-4,9-11H2,1-2H3,(H,17,18,20).
What are the key properties of 4-methyl-N-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrimidin-2-amine?
4-methyl-N-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrimidin-2-amine has a molecular weight of 283.38 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 139001184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).