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

C17H24N6 — CID 110269979

IUPAC2-methyl-6-[1-(2-methylpropyl)pyrrolidin-3-yl]-N-pyrimidin-2-ylpyrimidin-4-amine
SMILESCc1nc(Nc2ncccn2)cc(C2CCN(CC(C)C)C2)n1
InChIInChI=1S/C17H24N6/c1-12(2)10-23-8-5-14(11-23)15-9-16(21-13(3)20-15)22-17-18-6-4-7-19-17/h4,6-7,9,12,14H,5,8,10-11H2,1-3H3,(H,18,19,20,21,22)
InChIKeyAKHVZORDLBMUSC-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.76
Rot. Bonds5

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

2-methyl-6-[1-(2-methylpropyl)pyrrolidin-3-yl]-N-pyrimidin-2-ylpyrimidin-4-amine (PubChem CID 110269979) has the molecular formula C17H24N6 and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-methyl-6-[1-(2-methylpropyl)pyrrolidin-3-yl]-N-pyrimidin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-6-[1-(2-methylpropyl)pyrrolidin-3-yl]-N-pyrimidin-2-ylpyrimidin-4-amine
PubChem CID110269979
Molecular FormulaC17H24N6
Molecular Weight312.42 g/mol
Exact Mass312.21
IUPAC Name2-methyl-6-[1-(2-methylpropyl)pyrrolidin-3-yl]-N-pyrimidin-2-ylpyrimidin-4-amine
SMILESCc1nc(Nc2ncccn2)cc(C2CCN(CC(C)C)C2)n1
InChIInChI=1S/C17H24N6/c1-12(2)10-23-8-5-14(11-23)15-9-16(21-13(3)20-15)22-17-18-6-4-7-19-17/h4,6-7,9,12,14H,5,8,10-11H2,1-3H3,(H,18,19,20,21,22)
InChIKeyAKHVZORDLBMUSC-UHFFFAOYSA-N
XLogP2.76
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[1-(2-methylpropyl)pyrrolidin-3-yl]-N-pyrimidin-2-ylpyrimidin-4-amine?
The IUPAC name of 2-methyl-6-[1-(2-methylpropyl)pyrrolidin-3-yl]-N-pyrimidin-2-ylpyrimidin-4-amine (CID 110269979) is 2-methyl-6-[1-(2-methylpropyl)pyrrolidin-3-yl]-N-pyrimidin-2-ylpyrimidin-4-amine.
What is the SMILES notation for 2-methyl-6-[1-(2-methylpropyl)pyrrolidin-3-yl]-N-pyrimidin-2-ylpyrimidin-4-amine?
The canonical SMILES for 2-methyl-6-[1-(2-methylpropyl)pyrrolidin-3-yl]-N-pyrimidin-2-ylpyrimidin-4-amine is Cc1nc(Nc2ncccn2)cc(C2CCN(CC(C)C)C2)n1.
What is the InChIKey of 2-methyl-6-[1-(2-methylpropyl)pyrrolidin-3-yl]-N-pyrimidin-2-ylpyrimidin-4-amine?
The InChIKey is AKHVZORDLBMUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6/c1-12(2)10-23-8-5-14(11-23)15-9-16(21-13(3)20-15)22-17-18-6-4-7-19-17/h4,6-7,9,12,14H,5,8,10-11H2,1-3H3,(H,18,19,20,21,22).
What are the key properties of 2-methyl-6-[1-(2-methylpropyl)pyrrolidin-3-yl]-N-pyrimidin-2-ylpyrimidin-4-amine?
2-methyl-6-[1-(2-methylpropyl)pyrrolidin-3-yl]-N-pyrimidin-2-ylpyrimidin-4-amine has a molecular weight of 312.42 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[1-(2-methylpropyl)pyrrolidin-3-yl]-N-pyrimidin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 110269979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).