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

C14H22N4O — CID 112691744

IUPACN-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-methoxy-6-methylpyrimidin-2-amine
SMILESCOc1cc(C)nc(NCC2CCN(C3CC3)C2)n1
InChIInChI=1S/C14H22N4O/c1-10-7-13(19-2)17-14(16-10)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)
InChIKeyYQWSIBDTBGCBEF-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.69
Rot. Bonds5

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

N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-methoxy-6-methylpyrimidin-2-amine (PubChem CID 112691744) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-methoxy-6-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-methoxy-6-methylpyrimidin-2-amine
PubChem CID112691744
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC NameN-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-methoxy-6-methylpyrimidin-2-amine
SMILESCOc1cc(C)nc(NCC2CCN(C3CC3)C2)n1
InChIInChI=1S/C14H22N4O/c1-10-7-13(19-2)17-14(16-10)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)
InChIKeyYQWSIBDTBGCBEF-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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Related Compounds

N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-ethoxy-6-methylpyrimidin-2-amine
CID 115974493
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 66324847
4-methoxy-6-methyl-N-[(4-methylcyclohexyl)methyl]pyrimidin-2-amine
CID 112637620
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-methylpyrimidin-2-amine
CID 62959994
4-methoxy-6-methyl-N-[(3-methylcyclopentyl)methyl]pyrimidin-2-amine
CID 107413883
4,6-dimethoxy-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-2-amine
CID 115355062
5-[[(4-methoxy-6-methylpyrimidin-2-yl)amino]methyl]pyrrolidin-2-one
CID 112691898
N-(cyclopentylmethyl)-4,6-dimethoxypyrimidin-2-amine
CID 113278339
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-methylquinolin-4-amine
CID 60858147
4-methoxy-6-methyl-N-[[(1S,2S)-2-morpholin-4-ylcyclohexyl]methyl]pyrimidin-2-amine
CID 167931813
N-cycloheptyl-N'-(4-methoxy-6-methylpyrimidin-2-yl)ethane-1,2-diamine
CID 115973571
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-4,6-dimethoxypyrimidin-2-amine
CID 115355198

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-methoxy-6-methylpyrimidin-2-amine?
The IUPAC name of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-methoxy-6-methylpyrimidin-2-amine (CID 112691744) is N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-methoxy-6-methylpyrimidin-2-amine.
What is the SMILES notation for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-methoxy-6-methylpyrimidin-2-amine?
The canonical SMILES for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-methoxy-6-methylpyrimidin-2-amine is COc1cc(C)nc(NCC2CCN(C3CC3)C2)n1.
What is the InChIKey of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-methoxy-6-methylpyrimidin-2-amine?
The InChIKey is YQWSIBDTBGCBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-10-7-13(19-2)17-14(16-10)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]-4-methoxy-6-methylpyrimidin-2-amine?
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-methoxy-6-methylpyrimidin-2-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]-4-methoxy-6-methylpyrimidin-2-amine is sourced from PubChem (CID 112691744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).