N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-6-methoxy-2-methylpyrimidin-4-amine

C14H22N4O — CID 66324847

IUPACN-[(1-cyclopropylpyrrolidin-3-yl)methyl]-6-methoxy-2-methylpyrimidin-4-amine
SMILESCOc1cc(NCC2CCN(C3CC3)C2)nc(C)n1
InChIInChI=1S/C14H22N4O/c1-10-16-13(7-14(17-10)19-2)15-8-11-5-6-18(9-11)12-3-4-12/h7,11-12H,3-6,8-9H2,1-2H3,(H,15,16,17)
InChIKeyLYSHMVIPWQWDIF-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.69
Rot. Bonds5

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

N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-6-methoxy-2-methylpyrimidin-4-amine (PubChem CID 66324847) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-6-methoxy-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1-cyclopropylpyrrolidin-3-yl)methyl]-6-methoxy-2-methylpyrimidin-4-amine
PubChem CID66324847
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC NameN-[(1-cyclopropylpyrrolidin-3-yl)methyl]-6-methoxy-2-methylpyrimidin-4-amine
SMILESCOc1cc(NCC2CCN(C3CC3)C2)nc(C)n1
InChIInChI=1S/C14H22N4O/c1-10-16-13(7-14(17-10)19-2)15-8-11-5-6-18(9-11)12-3-4-12/h7,11-12H,3-6,8-9H2,1-2H3,(H,15,16,17)
InChIKeyLYSHMVIPWQWDIF-UHFFFAOYSA-N
XLogP1.69
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-6-methoxy-2-methylpyrimidin-4-amine?
The IUPAC name of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-6-methoxy-2-methylpyrimidin-4-amine (CID 66324847) is N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-6-methoxy-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-6-methoxy-2-methylpyrimidin-4-amine?
The canonical SMILES for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-6-methoxy-2-methylpyrimidin-4-amine is COc1cc(NCC2CCN(C3CC3)C2)nc(C)n1.
What is the InChIKey of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-6-methoxy-2-methylpyrimidin-4-amine?
The InChIKey is LYSHMVIPWQWDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-10-16-13(7-14(17-10)19-2)15-8-11-5-6-18(9-11)12-3-4-12/h7,11-12H,3-6,8-9H2,1-2H3,(H,15,16,17).
What are the key properties of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-6-methoxy-2-methylpyrimidin-4-amine?
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-6-methoxy-2-methylpyrimidin-4-amine has a molecular weight of 262.36 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-6-methoxy-2-methylpyrimidin-4-amine is sourced from PubChem (CID 66324847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).