N-[1-(aminomethyl)cyclohexyl]-6-methoxypyrimidin-4-amine

C12H20N4O — CID 66318099

IUPACN-[1-(aminomethyl)cyclohexyl]-6-methoxypyrimidin-4-amine
SMILESCOc1cc(NC2(CN)CCCCC2)ncn1
InChIInChI=1S/C12H20N4O/c1-17-11-7-10(14-9-15-11)16-12(8-13)5-3-2-4-6-12/h7,9H,2-6,8,13H2,1H3,(H,14,15,16)
InChIKeyCNQIVAVJVRQEDV-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.56
Rot. Bonds4

About N-[1-(aminomethyl)cyclohexyl]-6-methoxypyrimidin-4-amine

N-[1-(aminomethyl)cyclohexyl]-6-methoxypyrimidin-4-amine (PubChem CID 66318099) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclohexyl]-6-methoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclohexyl]-6-methoxypyrimidin-4-amine
PubChem CID66318099
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-[1-(aminomethyl)cyclohexyl]-6-methoxypyrimidin-4-amine
SMILESCOc1cc(NC2(CN)CCCCC2)ncn1
InChIInChI=1S/C12H20N4O/c1-17-11-7-10(14-9-15-11)16-12(8-13)5-3-2-4-6-12/h7,9H,2-6,8,13H2,1H3,(H,14,15,16)
InChIKeyCNQIVAVJVRQEDV-UHFFFAOYSA-N
XLogP1.56
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 ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclohexyl]-6-methoxypyrimidin-4-amine?
The IUPAC name of N-[1-(aminomethyl)cyclohexyl]-6-methoxypyrimidin-4-amine (CID 66318099) is N-[1-(aminomethyl)cyclohexyl]-6-methoxypyrimidin-4-amine.
What is the SMILES notation for N-[1-(aminomethyl)cyclohexyl]-6-methoxypyrimidin-4-amine?
The canonical SMILES for N-[1-(aminomethyl)cyclohexyl]-6-methoxypyrimidin-4-amine is COc1cc(NC2(CN)CCCCC2)ncn1.
What is the InChIKey of N-[1-(aminomethyl)cyclohexyl]-6-methoxypyrimidin-4-amine?
The InChIKey is CNQIVAVJVRQEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-17-11-7-10(14-9-15-11)16-12(8-13)5-3-2-4-6-12/h7,9H,2-6,8,13H2,1H3,(H,14,15,16).
What are the key properties of N-[1-(aminomethyl)cyclohexyl]-6-methoxypyrimidin-4-amine?
N-[1-(aminomethyl)cyclohexyl]-6-methoxypyrimidin-4-amine has a molecular weight of 236.32 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclohexyl]-6-methoxypyrimidin-4-amine is sourced from PubChem (CID 66318099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).