2-N-cyclohexyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine

C15H24N4O — CID 112884929

IUPAC2-N-cyclohexyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
SMILESc1cc(NCC2CCCO2)nc(NC2CCCCC2)n1
InChIInChI=1S/C15H24N4O/c1-2-5-12(6-3-1)18-15-16-9-8-14(19-15)17-11-13-7-4-10-20-13/h8-9,12-13H,1-7,10-11H2,(H2,16,17,18,19)
InChIKeySHVHWSVITKRNIX-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.81
Rot. Bonds5

About 2-N-cyclohexyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine

2-N-cyclohexyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 112884929) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-N-cyclohexyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-cyclohexyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
PubChem CID112884929
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name2-N-cyclohexyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
SMILESc1cc(NCC2CCCO2)nc(NC2CCCCC2)n1
InChIInChI=1S/C15H24N4O/c1-2-5-12(6-3-1)18-15-16-9-8-14(19-15)17-11-13-7-4-10-20-13/h8-9,12-13H,1-7,10-11H2,(H2,16,17,18,19)
InChIKeySHVHWSVITKRNIX-UHFFFAOYSA-N
XLogP2.81
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(2-methoxyethyl)-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112885846
4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 80772162
2-N,4-N-dicyclopentylpyrimidine-2,4-diamine
CID 112884114
4-N-[2-(dimethylamino)ethyl]-2-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112886841
4-N-(oxolan-2-ylmethyl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112886786
4-N-(1,1-dioxothiolan-3-yl)-2-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112886873
4-N-cycloheptyl-6-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine
CID 112880638
2-N-(4-ethoxyphenyl)-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112886777
2-N,2-N-diethyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112886716
2-N-(2-ethoxyphenyl)-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112886776
N-(oxolan-2-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112886715
4-N-(oxolan-2-ylmethyl)-2-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112886819

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclohexyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-cyclohexyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine (CID 112884929) is 2-N-cyclohexyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-cyclohexyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-cyclohexyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine is c1cc(NCC2CCCO2)nc(NC2CCCCC2)n1.
What is the InChIKey of 2-N-cyclohexyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is SHVHWSVITKRNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-2-5-12(6-3-1)18-15-16-9-8-14(19-15)17-11-13-7-4-10-20-13/h8-9,12-13H,1-7,10-11H2,(H2,16,17,18,19).
What are the key properties of 2-N-cyclohexyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine?
2-N-cyclohexyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 276.38 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclohexyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112884929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).