4-methoxy-6-methyl-N-[(3-methylcyclopentyl)methyl]pyrimidin-2-amine

C13H21N3O — CID 107413883

IUPAC4-methoxy-6-methyl-N-[(3-methylcyclopentyl)methyl]pyrimidin-2-amine
SMILESCOc1cc(C)nc(NCC2CCC(C)C2)n1
InChIInChI=1S/C13H21N3O/c1-9-4-5-11(6-9)8-14-13-15-10(2)7-12(16-13)17-3/h7,9,11H,4-6,8H2,1-3H3,(H,14,15,16)
InChIKeyADNZMKKRESGIAU-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.64
Rot. Bonds4

About 4-methoxy-6-methyl-N-[(3-methylcyclopentyl)methyl]pyrimidin-2-amine

4-methoxy-6-methyl-N-[(3-methylcyclopentyl)methyl]pyrimidin-2-amine (PubChem CID 107413883) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-methoxy-6-methyl-N-[(3-methylcyclopentyl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-6-methyl-N-[(3-methylcyclopentyl)methyl]pyrimidin-2-amine
PubChem CID107413883
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name4-methoxy-6-methyl-N-[(3-methylcyclopentyl)methyl]pyrimidin-2-amine
SMILESCOc1cc(C)nc(NCC2CCC(C)C2)n1
InChIInChI=1S/C13H21N3O/c1-9-4-5-11(6-9)8-14-13-15-10(2)7-12(16-13)17-3/h7,9,11H,4-6,8H2,1-3H3,(H,14,15,16)
InChIKeyADNZMKKRESGIAU-UHFFFAOYSA-N
XLogP2.64
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-6-methyl-N-[(4-methylcyclohexyl)methyl]pyrimidin-2-amine
CID 112637620
4-methyl-N-[(3-methylcyclopentyl)methyl]-6-propoxypyrimidin-2-amine
CID 107414062
4-methoxy-N-[(3-methylcyclopentyl)methyl]pyrimidin-2-amine
CID 107413823
N-(cyclopentylmethyl)-4,6-dimethoxypyrimidin-2-amine
CID 113278339
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-methoxy-6-methylpyrimidin-2-amine
CID 112691744
5-[[(4-methoxy-6-methylpyrimidin-2-yl)amino]methyl]pyrrolidin-2-one
CID 112691898
4-methoxy-6-methyl-N-(3-methylcyclobutyl)pyrimidin-2-amine
CID 115671869
4,6-dimethoxy-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-2-amine
CID 115355062
4-methoxy-N-(2-methoxycyclopentyl)-6-methylpyrimidin-2-amine
CID 112699094
N-(cyclobutylmethyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 112636641
N-(cyclopropylmethyl)-4-ethyl-6-methylpyrimidin-2-amine
CID 131153777
4,6-dimethoxy-N-[(3-methylcyclohexyl)methyl]-1,3,5-triazin-2-amine
CID 103702732

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-methyl-N-[(3-methylcyclopentyl)methyl]pyrimidin-2-amine?
The IUPAC name of 4-methoxy-6-methyl-N-[(3-methylcyclopentyl)methyl]pyrimidin-2-amine (CID 107413883) is 4-methoxy-6-methyl-N-[(3-methylcyclopentyl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-6-methyl-N-[(3-methylcyclopentyl)methyl]pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-6-methyl-N-[(3-methylcyclopentyl)methyl]pyrimidin-2-amine is COc1cc(C)nc(NCC2CCC(C)C2)n1.
What is the InChIKey of 4-methoxy-6-methyl-N-[(3-methylcyclopentyl)methyl]pyrimidin-2-amine?
The InChIKey is ADNZMKKRESGIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9-4-5-11(6-9)8-14-13-15-10(2)7-12(16-13)17-3/h7,9,11H,4-6,8H2,1-3H3,(H,14,15,16).
What are the key properties of 4-methoxy-6-methyl-N-[(3-methylcyclopentyl)methyl]pyrimidin-2-amine?
4-methoxy-6-methyl-N-[(3-methylcyclopentyl)methyl]pyrimidin-2-amine has a molecular weight of 235.33 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-methyl-N-[(3-methylcyclopentyl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 107413883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).