N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine

C16H22N6 — CID 133279755

IUPACN-[(3,5-dimethylpyrazolidin-4-yl)methyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine
SMILESCc1cc(NCC2C(C)NNC2C)nc(-c2cccnc2)n1
InChIInChI=1S/C16H22N6/c1-10-7-15(18-9-14-11(2)21-22-12(14)3)20-16(19-10)13-5-4-6-17-8-13/h4-8,11-12,14,21-22H,9H2,1-3H3,(H,18,19,20)
InChIKeyHYOPZBVWKGKPIB-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.76
Rot. Bonds4

About N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine

N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine (PubChem CID 133279755) has the molecular formula C16H22N6 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3,5-dimethylpyrazolidin-4-yl)methyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine
PubChem CID133279755
Molecular FormulaC16H22N6
Molecular Weight298.39 g/mol
Exact Mass298.19
IUPAC NameN-[(3,5-dimethylpyrazolidin-4-yl)methyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine
SMILESCc1cc(NCC2C(C)NNC2C)nc(-c2cccnc2)n1
InChIInChI=1S/C16H22N6/c1-10-7-15(18-9-14-11(2)21-22-12(14)3)20-16(19-10)13-5-4-6-17-8-13/h4-8,11-12,14,21-22H,9H2,1-3H3,(H,18,19,20)
InChIKeyHYOPZBVWKGKPIB-UHFFFAOYSA-N
XLogP1.76
TPSA74.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine?
The IUPAC name of N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine (CID 133279755) is N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine.
What is the SMILES notation for N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine?
The canonical SMILES for N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine is Cc1cc(NCC2C(C)NNC2C)nc(-c2cccnc2)n1.
What is the InChIKey of N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine?
The InChIKey is HYOPZBVWKGKPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6/c1-10-7-15(18-9-14-11(2)21-22-12(14)3)20-16(19-10)13-5-4-6-17-8-13/h4-8,11-12,14,21-22H,9H2,1-3H3,(H,18,19,20).
What are the key properties of N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine?
N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine has a molecular weight of 298.39 g/mol, XLogP of 1.76, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 133279755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).