6-methoxy-N-[(4-methylcyclohexyl)methyl]pyrimidin-4-amine

C13H21N3O — CID 66326407

IUPAC6-methoxy-N-[(4-methylcyclohexyl)methyl]pyrimidin-4-amine
SMILESCOc1cc(NCC2CCC(C)CC2)ncn1
InChIInChI=1S/C13H21N3O/c1-10-3-5-11(6-4-10)8-14-12-7-13(17-2)16-9-15-12/h7,9-11H,3-6,8H2,1-2H3,(H,14,15,16)
InChIKeyJJMKMRMJNPIGBB-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.72
Rot. Bonds4

About 6-methoxy-N-[(4-methylcyclohexyl)methyl]pyrimidin-4-amine

6-methoxy-N-[(4-methylcyclohexyl)methyl]pyrimidin-4-amine (PubChem CID 66326407) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 6-methoxy-N-[(4-methylcyclohexyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methoxy-N-[(4-methylcyclohexyl)methyl]pyrimidin-4-amine
PubChem CID66326407
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name6-methoxy-N-[(4-methylcyclohexyl)methyl]pyrimidin-4-amine
SMILESCOc1cc(NCC2CCC(C)CC2)ncn1
InChIInChI=1S/C13H21N3O/c1-10-3-5-11(6-4-10)8-14-12-7-13(17-2)16-9-15-12/h7,9-11H,3-6,8H2,1-2H3,(H,14,15,16)
InChIKeyJJMKMRMJNPIGBB-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-aminocyclohexyl)methyl]-6-methoxypyrimidin-4-amine
CID 114147282
N-[(3-aminocyclopentyl)methyl]-6-methoxypyrimidin-4-amine
CID 106126816
4-N-[(4-methylcyclohexyl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80828903
N-[(3-aminocyclohexyl)methyl]-6-methoxypyrimidin-4-amine
CID 106128246
3-[[(6-methoxypyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 104917710
6-methoxy-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride
CID 66569768
[2-[[(6-methoxypyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
CID 66325187
N-[(1-cyclopropylcyclopropyl)methyl]-6-methoxypyrimidin-4-amine
CID 104918007
N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methoxypyrimidin-4-amine
CID 66325160
6-ethoxy-N-[(4-methylcyclohexyl)methyl]pyridin-2-amine
CID 63589706
4-[[(6-ethoxypyrimidin-4-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79526419
N-(3,5-dimethylcyclohexyl)-6-methoxypyrimidin-4-amine
CID 66326824

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[(4-methylcyclohexyl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-methoxy-N-[(4-methylcyclohexyl)methyl]pyrimidin-4-amine (CID 66326407) is 6-methoxy-N-[(4-methylcyclohexyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-methoxy-N-[(4-methylcyclohexyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-methoxy-N-[(4-methylcyclohexyl)methyl]pyrimidin-4-amine is COc1cc(NCC2CCC(C)CC2)ncn1.
What is the InChIKey of 6-methoxy-N-[(4-methylcyclohexyl)methyl]pyrimidin-4-amine?
The InChIKey is JJMKMRMJNPIGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10-3-5-11(6-4-10)8-14-12-7-13(17-2)16-9-15-12/h7,9-11H,3-6,8H2,1-2H3,(H,14,15,16).
What are the key properties of 6-methoxy-N-[(4-methylcyclohexyl)methyl]pyrimidin-4-amine?
6-methoxy-N-[(4-methylcyclohexyl)methyl]pyrimidin-4-amine has a molecular weight of 235.33 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[(4-methylcyclohexyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 66326407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).