N-[[1-(aminomethyl)cyclohexyl]methyl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine

C16H28N4O — CID 103970503

IUPACN-[[1-(aminomethyl)cyclohexyl]methyl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine
SMILESCc1cc(OC(C)C)nc(NCC2(CN)CCCCC2)n1
InChIInChI=1S/C16H28N4O/c1-12(2)21-14-9-13(3)19-15(20-14)18-11-16(10-17)7-5-4-6-8-16/h9,12H,4-8,10-11,17H2,1-3H3,(H,18,19,20)
InChIKeySURAOGSRIXDWAS-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.89
Rot. Bonds6

About N-[[1-(aminomethyl)cyclohexyl]methyl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine

N-[[1-(aminomethyl)cyclohexyl]methyl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine (PubChem CID 103970503) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclohexyl]methyl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclohexyl]methyl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine
PubChem CID103970503
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC NameN-[[1-(aminomethyl)cyclohexyl]methyl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine
SMILESCc1cc(OC(C)C)nc(NCC2(CN)CCCCC2)n1
InChIInChI=1S/C16H28N4O/c1-12(2)21-14-9-13(3)19-15(20-14)18-11-16(10-17)7-5-4-6-8-16/h9,12H,4-8,10-11,17H2,1-3H3,(H,18,19,20)
InChIKeySURAOGSRIXDWAS-UHFFFAOYSA-N
XLogP2.89
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(chloromethyl)cyclohexyl]methyl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 103969249
1-[[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]methyl]cyclopentan-1-ol
CID 112637995
N-[(1-ethylcyclopentyl)methyl]-4-methoxy-6-methylpyrimidin-2-amine
CID 114125759
N-[[1-(aminomethyl)cyclopentyl]methyl]-6-propan-2-yloxypyrimidin-4-amine
CID 115365986
N-(cyclobutylmethyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 112636641
4-methyl-N-(2-piperidin-1-ylethyl)-6-propan-2-yloxypyrimidin-2-amine
CID 115974823
N-[[1-(aminomethyl)cyclohexyl]methyl]-2,6-dimethylpyrimidin-4-amine
CID 103970489
N-(2-cyclopentylethyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 112636873
N-[2-(aminomethyl)cyclopentyl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 112635000
N-(2-methoxypropyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 102698965
4-methyl-N-(2-methylsulfanylethyl)-6-propan-2-yloxypyrimidin-2-amine
CID 112637747
4-methyl-1-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)pentane-1,2-diamine
CID 107159428

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclohexyl]methyl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine?
The IUPAC name of N-[[1-(aminomethyl)cyclohexyl]methyl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine (CID 103970503) is N-[[1-(aminomethyl)cyclohexyl]methyl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine.
What is the SMILES notation for N-[[1-(aminomethyl)cyclohexyl]methyl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine?
The canonical SMILES for N-[[1-(aminomethyl)cyclohexyl]methyl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine is Cc1cc(OC(C)C)nc(NCC2(CN)CCCCC2)n1.
What is the InChIKey of N-[[1-(aminomethyl)cyclohexyl]methyl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine?
The InChIKey is SURAOGSRIXDWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-12(2)21-14-9-13(3)19-15(20-14)18-11-16(10-17)7-5-4-6-8-16/h9,12H,4-8,10-11,17H2,1-3H3,(H,18,19,20).
What are the key properties of N-[[1-(aminomethyl)cyclohexyl]methyl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine?
N-[[1-(aminomethyl)cyclohexyl]methyl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine has a molecular weight of 292.43 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclohexyl]methyl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine is sourced from PubChem (CID 103970503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).