N-[[1-(aminomethyl)cyclohexyl]methyl]-4-propoxypyrimidin-2-amine

C15H26N4O — CID 103970456

IUPACN-[[1-(aminomethyl)cyclohexyl]methyl]-4-propoxypyrimidin-2-amine
SMILESCCCOc1ccnc(NCC2(CN)CCCCC2)n1
InChIInChI=1S/C15H26N4O/c1-2-10-20-13-6-9-17-14(19-13)18-12-15(11-16)7-4-3-5-8-15/h6,9H,2-5,7-8,10-12,16H2,1H3,(H,17,18,19)
InChIKeyVHGIPBGUOBFPBS-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.59
Rot. Bonds7

About N-[[1-(aminomethyl)cyclohexyl]methyl]-4-propoxypyrimidin-2-amine

N-[[1-(aminomethyl)cyclohexyl]methyl]-4-propoxypyrimidin-2-amine (PubChem CID 103970456) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclohexyl]methyl]-4-propoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclohexyl]methyl]-4-propoxypyrimidin-2-amine
PubChem CID103970456
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN-[[1-(aminomethyl)cyclohexyl]methyl]-4-propoxypyrimidin-2-amine
SMILESCCCOc1ccnc(NCC2(CN)CCCCC2)n1
InChIInChI=1S/C15H26N4O/c1-2-10-20-13-6-9-17-14(19-13)18-12-15(11-16)7-4-3-5-8-15/h6,9H,2-5,7-8,10-12,16H2,1H3,(H,17,18,19)
InChIKeyVHGIPBGUOBFPBS-UHFFFAOYSA-N
XLogP2.59
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(aminomethyl)cyclopropyl]methyl]-4-methoxypyrimidin-2-amine
CID 115457088
N-[(2-methyloxolan-2-yl)methyl]-4-propoxypyrimidin-2-amine
CID 112638214
N-[(1-ethylcyclopentyl)methyl]-4-methoxypyrimidin-2-amine
CID 114125798
1-[[(4-propoxypyrimidin-2-yl)amino]methyl]cyclobutane-1-carboxylic acid
CID 112636230
N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-propoxypyrimidin-2-amine
CID 107164370
[1-[(4-propoxypyrimidin-2-yl)amino]cyclohexyl]methanol
CID 112637519
4-methyl-1-[[(4-propoxypyrimidin-2-yl)amino]methyl]cyclohexan-1-ol
CID 115975138
N-[[1-(2-methylpropyl)cyclopentyl]methyl]-4-propan-2-yloxypyrimidin-2-amine
CID 115975246
N-[(5-ethylthiophen-2-yl)methyl]-4-propoxypyrimidin-2-amine
CID 106013343
3-methyl-1-N-(4-propoxypyrimidin-2-yl)butane-1,2-diamine
CID 112638691
N-(3-methylbut-2-enyl)-4-propoxypyrimidin-2-amine
CID 106191641
4-butoxy-N-ethylpyrimidin-2-amine
CID 80865329

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclohexyl]methyl]-4-propoxypyrimidin-2-amine?
The IUPAC name of N-[[1-(aminomethyl)cyclohexyl]methyl]-4-propoxypyrimidin-2-amine (CID 103970456) is N-[[1-(aminomethyl)cyclohexyl]methyl]-4-propoxypyrimidin-2-amine.
What is the SMILES notation for N-[[1-(aminomethyl)cyclohexyl]methyl]-4-propoxypyrimidin-2-amine?
The canonical SMILES for N-[[1-(aminomethyl)cyclohexyl]methyl]-4-propoxypyrimidin-2-amine is CCCOc1ccnc(NCC2(CN)CCCCC2)n1.
What is the InChIKey of N-[[1-(aminomethyl)cyclohexyl]methyl]-4-propoxypyrimidin-2-amine?
The InChIKey is VHGIPBGUOBFPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-2-10-20-13-6-9-17-14(19-13)18-12-15(11-16)7-4-3-5-8-15/h6,9H,2-5,7-8,10-12,16H2,1H3,(H,17,18,19).
What are the key properties of N-[[1-(aminomethyl)cyclohexyl]methyl]-4-propoxypyrimidin-2-amine?
N-[[1-(aminomethyl)cyclohexyl]methyl]-4-propoxypyrimidin-2-amine has a molecular weight of 278.40 g/mol, XLogP of 2.59, 7 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-propoxypyrimidin-2-amine is sourced from PubChem (CID 103970456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).