2-methyl-6-(1-propan-2-ylpyrrolidin-3-yl)-N-pyrimidin-2-ylpyrimidin-4-amine

C16H22N6 — CID 110269647

IUPAC2-methyl-6-(1-propan-2-ylpyrrolidin-3-yl)-N-pyrimidin-2-ylpyrimidin-4-amine
SMILESCc1nc(Nc2ncccn2)cc(C2CCN(C(C)C)C2)n1
InChIInChI=1S/C16H22N6/c1-11(2)22-8-5-13(10-22)14-9-15(20-12(3)19-14)21-16-17-6-4-7-18-16/h4,6-7,9,11,13H,5,8,10H2,1-3H3,(H,17,18,19,20,21)
InChIKeyGDOCXRKPLIENPN-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.52
Rot. Bonds4

About 2-methyl-6-(1-propan-2-ylpyrrolidin-3-yl)-N-pyrimidin-2-ylpyrimidin-4-amine

2-methyl-6-(1-propan-2-ylpyrrolidin-3-yl)-N-pyrimidin-2-ylpyrimidin-4-amine (PubChem CID 110269647) has the molecular formula C16H22N6 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-methyl-6-(1-propan-2-ylpyrrolidin-3-yl)-N-pyrimidin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-6-(1-propan-2-ylpyrrolidin-3-yl)-N-pyrimidin-2-ylpyrimidin-4-amine
PubChem CID110269647
Molecular FormulaC16H22N6
Molecular Weight298.39 g/mol
Exact Mass298.19
IUPAC Name2-methyl-6-(1-propan-2-ylpyrrolidin-3-yl)-N-pyrimidin-2-ylpyrimidin-4-amine
SMILESCc1nc(Nc2ncccn2)cc(C2CCN(C(C)C)C2)n1
InChIInChI=1S/C16H22N6/c1-11(2)22-8-5-13(10-22)14-9-15(20-12(3)19-14)21-16-17-6-4-7-18-16/h4,6-7,9,11,13H,5,8,10H2,1-3H3,(H,17,18,19,20,21)
InChIKeyGDOCXRKPLIENPN-UHFFFAOYSA-N
XLogP2.52
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-6-[1-(2-methylpropyl)pyrrolidin-3-yl]-N-pyrimidin-2-ylpyrimidin-4-amine
CID 110269979
2-methyl-6-(1-methylpiperidin-3-yl)-N-pyrimidin-2-ylpyrimidin-4-amine
CID 110255556
4,5-dimethyl-N-[2-methyl-6-[(3S)-1-propan-2-ylpyrrolidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 124952376
2-methyl-N-pyrimidin-2-yl-6-pyrrolidin-3-ylpyrimidin-4-amine
CID 110095196
2-[(3R)-3-[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]propane-1,3-diol
CID 95844663
5-(1-propan-2-ylpiperidin-3-yl)-N-pyrimidin-2-ylpyrazin-2-amine
CID 110256171
1-[3-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]propan-1-one
CID 110256849
2-methyl-N-(3-methyl-2-pyridinyl)-6-[(3R)-1-propan-2-ylsulfonylpyrrolidin-3-yl]pyrimidin-4-amine
CID 95844644
2-methyl-N-pyrimidin-2-yl-6-(1-pyrimidin-4-ylpiperidin-3-yl)pyrimidin-4-amine
CID 132764783
2-methyl-6-(1-methylpyrrolidin-2-yl)-N-pyrimidin-2-ylpyrimidin-4-amine
CID 110269635
2-methyl-4-[(3S)-1-propan-2-ylpyrrolidin-3-yl]-6-(1H-pyrazol-5-yl)pyrimidine
CID 125005686
2-methoxy-2-methyl-1-[(3R)-3-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]propan-1-one
CID 125003739

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(1-propan-2-ylpyrrolidin-3-yl)-N-pyrimidin-2-ylpyrimidin-4-amine?
The IUPAC name of 2-methyl-6-(1-propan-2-ylpyrrolidin-3-yl)-N-pyrimidin-2-ylpyrimidin-4-amine (CID 110269647) is 2-methyl-6-(1-propan-2-ylpyrrolidin-3-yl)-N-pyrimidin-2-ylpyrimidin-4-amine.
What is the SMILES notation for 2-methyl-6-(1-propan-2-ylpyrrolidin-3-yl)-N-pyrimidin-2-ylpyrimidin-4-amine?
The canonical SMILES for 2-methyl-6-(1-propan-2-ylpyrrolidin-3-yl)-N-pyrimidin-2-ylpyrimidin-4-amine is Cc1nc(Nc2ncccn2)cc(C2CCN(C(C)C)C2)n1.
What is the InChIKey of 2-methyl-6-(1-propan-2-ylpyrrolidin-3-yl)-N-pyrimidin-2-ylpyrimidin-4-amine?
The InChIKey is GDOCXRKPLIENPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6/c1-11(2)22-8-5-13(10-22)14-9-15(20-12(3)19-14)21-16-17-6-4-7-18-16/h4,6-7,9,11,13H,5,8,10H2,1-3H3,(H,17,18,19,20,21).
What are the key properties of 2-methyl-6-(1-propan-2-ylpyrrolidin-3-yl)-N-pyrimidin-2-ylpyrimidin-4-amine?
2-methyl-6-(1-propan-2-ylpyrrolidin-3-yl)-N-pyrimidin-2-ylpyrimidin-4-amine has a molecular weight of 298.39 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(1-propan-2-ylpyrrolidin-3-yl)-N-pyrimidin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 110269647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).