N,2,5-trimethyl-6-(3-propan-2-ylpyrrolidin-1-yl)pyrimidin-4-amine

C14H24N4 — CID 113419461

IUPACN,2,5-trimethyl-6-(3-propan-2-ylpyrrolidin-1-yl)pyrimidin-4-amine
SMILESCNc1nc(C)nc(N2CCC(C(C)C)C2)c1C
InChIInChI=1S/C14H24N4/c1-9(2)12-6-7-18(8-12)14-10(3)13(15-5)16-11(4)17-14/h9,12H,6-8H2,1-5H3,(H,15,16,17)
InChIKeyYBFFOYPTLIGTDV-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.62
Rot. Bonds3

About N,2,5-trimethyl-6-(3-propan-2-ylpyrrolidin-1-yl)pyrimidin-4-amine

N,2,5-trimethyl-6-(3-propan-2-ylpyrrolidin-1-yl)pyrimidin-4-amine (PubChem CID 113419461) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is N,2,5-trimethyl-6-(3-propan-2-ylpyrrolidin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN,2,5-trimethyl-6-(3-propan-2-ylpyrrolidin-1-yl)pyrimidin-4-amine
PubChem CID113419461
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC NameN,2,5-trimethyl-6-(3-propan-2-ylpyrrolidin-1-yl)pyrimidin-4-amine
SMILESCNc1nc(C)nc(N2CCC(C(C)C)C2)c1C
InChIInChI=1S/C14H24N4/c1-9(2)12-6-7-18(8-12)14-10(3)13(15-5)16-11(4)17-14/h9,12H,6-8H2,1-5H3,(H,15,16,17)
InChIKeyYBFFOYPTLIGTDV-UHFFFAOYSA-N
XLogP2.62
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,2,5-trimethyl-6-(3-propan-2-ylpyrrolidin-1-yl)pyrimidin-4-amine?
The IUPAC name of N,2,5-trimethyl-6-(3-propan-2-ylpyrrolidin-1-yl)pyrimidin-4-amine (CID 113419461) is N,2,5-trimethyl-6-(3-propan-2-ylpyrrolidin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N,2,5-trimethyl-6-(3-propan-2-ylpyrrolidin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N,2,5-trimethyl-6-(3-propan-2-ylpyrrolidin-1-yl)pyrimidin-4-amine is CNc1nc(C)nc(N2CCC(C(C)C)C2)c1C.
What is the InChIKey of N,2,5-trimethyl-6-(3-propan-2-ylpyrrolidin-1-yl)pyrimidin-4-amine?
The InChIKey is YBFFOYPTLIGTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-9(2)12-6-7-18(8-12)14-10(3)13(15-5)16-11(4)17-14/h9,12H,6-8H2,1-5H3,(H,15,16,17).
What are the key properties of N,2,5-trimethyl-6-(3-propan-2-ylpyrrolidin-1-yl)pyrimidin-4-amine?
N,2,5-trimethyl-6-(3-propan-2-ylpyrrolidin-1-yl)pyrimidin-4-amine has a molecular weight of 248.37 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,5-trimethyl-6-(3-propan-2-ylpyrrolidin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 113419461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).