N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-6-propan-2-ylpyrimidin-4-amine

C15H24N4 — CID 61240938

IUPACN-[(1-cyclopropylpyrrolidin-3-yl)methyl]-6-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1cc(NCC2CCN(C3CC3)C2)ncn1
InChIInChI=1S/C15H24N4/c1-11(2)14-7-15(18-10-17-14)16-8-12-5-6-19(9-12)13-3-4-13/h7,10-13H,3-6,8-9H2,1-2H3,(H,16,17,18)
InChIKeyJVSAHYYSTGUTIX-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.50
Rot. Bonds5

About N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-6-propan-2-ylpyrimidin-4-amine

N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-6-propan-2-ylpyrimidin-4-amine (PubChem CID 61240938) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1-cyclopropylpyrrolidin-3-yl)methyl]-6-propan-2-ylpyrimidin-4-amine
PubChem CID61240938
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC NameN-[(1-cyclopropylpyrrolidin-3-yl)methyl]-6-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1cc(NCC2CCN(C3CC3)C2)ncn1
InChIInChI=1S/C15H24N4/c1-11(2)14-7-15(18-10-17-14)16-8-12-5-6-19(9-12)13-3-4-13/h7,10-13H,3-6,8-9H2,1-2H3,(H,16,17,18)
InChIKeyJVSAHYYSTGUTIX-UHFFFAOYSA-N
XLogP2.50
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-6-propan-2-ylpyrimidin-4-amine (CID 61240938) is N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-6-propan-2-ylpyrimidin-4-amine is CC(C)c1cc(NCC2CCN(C3CC3)C2)ncn1.
What is the InChIKey of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is JVSAHYYSTGUTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-11(2)14-7-15(18-10-17-14)16-8-12-5-6-19(9-12)13-3-4-13/h7,10-13H,3-6,8-9H2,1-2H3,(H,16,17,18).
What are the key properties of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-6-propan-2-ylpyrimidin-4-amine?
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 260.38 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 61240938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).