N-[(4-aminocyclohexyl)methyl]-6-methoxypyrimidin-4-amine

C12H20N4O — CID 114147282

IUPACN-[(4-aminocyclohexyl)methyl]-6-methoxypyrimidin-4-amine
SMILESCOc1cc(NCC2CCC(N)CC2)ncn1
InChIInChI=1S/C12H20N4O/c1-17-12-6-11(15-8-16-12)14-7-9-2-4-10(13)5-3-9/h6,8-10H,2-5,7,13H2,1H3,(H,14,15,16)
InChIKeyBTNCGABIOUWKGF-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.41
Rot. Bonds4

About N-[(4-aminocyclohexyl)methyl]-6-methoxypyrimidin-4-amine

N-[(4-aminocyclohexyl)methyl]-6-methoxypyrimidin-4-amine (PubChem CID 114147282) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-[(4-aminocyclohexyl)methyl]-6-methoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-[(4-aminocyclohexyl)methyl]-6-methoxypyrimidin-4-amine
PubChem CID114147282
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-[(4-aminocyclohexyl)methyl]-6-methoxypyrimidin-4-amine
SMILESCOc1cc(NCC2CCC(N)CC2)ncn1
InChIInChI=1S/C12H20N4O/c1-17-12-6-11(15-8-16-12)14-7-9-2-4-10(13)5-3-9/h6,8-10H,2-5,7,13H2,1H3,(H,14,15,16)
InChIKeyBTNCGABIOUWKGF-UHFFFAOYSA-N
XLogP1.41
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-aminocyclopentyl)methyl]-6-methoxypyrimidin-4-amine
CID 106126816
6-methoxy-N-[(4-methylcyclohexyl)methyl]pyrimidin-4-amine
CID 66326407
N-[(3-aminocyclohexyl)methyl]-6-methoxypyrimidin-4-amine
CID 106128246
4-N-(6-methoxypyrimidin-4-yl)cyclohexane-1,4-diamine
CID 66318521
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-[(3-aminocyclohexyl)methyl]-6-ethoxypyrimidin-4-amine
CID 106128479
N-[(3-aminocyclopentyl)methyl]-6-methylpyrimidin-4-amine
CID 106126678
N-[(1-cyclopropylcyclopropyl)methyl]-6-methoxypyrimidin-4-amine
CID 104918007
N-[(3-aminocyclopentyl)methyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 106126705
N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methoxypyrimidin-4-amine
CID 66325160

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminocyclohexyl)methyl]-6-methoxypyrimidin-4-amine?
The IUPAC name of N-[(4-aminocyclohexyl)methyl]-6-methoxypyrimidin-4-amine (CID 114147282) is N-[(4-aminocyclohexyl)methyl]-6-methoxypyrimidin-4-amine.
What is the SMILES notation for N-[(4-aminocyclohexyl)methyl]-6-methoxypyrimidin-4-amine?
The canonical SMILES for N-[(4-aminocyclohexyl)methyl]-6-methoxypyrimidin-4-amine is COc1cc(NCC2CCC(N)CC2)ncn1.
What is the InChIKey of N-[(4-aminocyclohexyl)methyl]-6-methoxypyrimidin-4-amine?
The InChIKey is BTNCGABIOUWKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-17-12-6-11(15-8-16-12)14-7-9-2-4-10(13)5-3-9/h6,8-10H,2-5,7,13H2,1H3,(H,14,15,16).
What are the key properties of N-[(4-aminocyclohexyl)methyl]-6-methoxypyrimidin-4-amine?
N-[(4-aminocyclohexyl)methyl]-6-methoxypyrimidin-4-amine has a molecular weight of 236.32 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminocyclohexyl)methyl]-6-methoxypyrimidin-4-amine is sourced from PubChem (CID 114147282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).