4-N-(3-methyloxan-4-yl)-5-propan-2-ylpyrimidine-4,6-diamine

C13H22N4O — CID 114241708

IUPAC4-N-(3-methyloxan-4-yl)-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCC(C)c1c(N)ncnc1NC1CCOCC1C
InChIInChI=1S/C13H22N4O/c1-8(2)11-12(14)15-7-16-13(11)17-10-4-5-18-6-9(10)3/h7-10H,4-6H2,1-3H3,(H3,14,15,16,17)
InChIKeyZIPFRCHXCWEJGM-UHFFFAOYSA-N
MW250.35 g/mol
LogP2.02
Rot. Bonds3

About 4-N-(3-methyloxan-4-yl)-5-propan-2-ylpyrimidine-4,6-diamine

4-N-(3-methyloxan-4-yl)-5-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 114241708) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-N-(3-methyloxan-4-yl)-5-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-methyloxan-4-yl)-5-propan-2-ylpyrimidine-4,6-diamine
PubChem CID114241708
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name4-N-(3-methyloxan-4-yl)-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCC(C)c1c(N)ncnc1NC1CCOCC1C
InChIInChI=1S/C13H22N4O/c1-8(2)11-12(14)15-7-16-13(11)17-10-4-5-18-6-9(10)3/h7-10H,4-6H2,1-3H3,(H3,14,15,16,17)
InChIKeyZIPFRCHXCWEJGM-UHFFFAOYSA-N
XLogP2.02
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(3,5-dimethylcyclohexyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80840974
4-N-(3-methylcyclohexyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80782403
4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80805013
4-N-(4,4-dimethylcyclohexyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80838058
5-propan-2-yl-4-N-(2-propylcyclopropyl)pyrimidine-4,6-diamine
CID 114112585
4-N-methyl-4-N-(oxolan-3-yl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 82744530
6-(oxan-4-ylsulfanyl)-5-propan-2-ylpyrimidin-4-amine
CID 80889509
4-N,5-di(propan-2-yl)pyrimidine-4,6-diamine
CID 80765801
N-(1,3-dimethylpiperidin-4-yl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine
CID 114506749
4-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80770662
6-(2,2-dimethylhydrazinyl)-5-propan-2-ylpyrimidin-4-amine
CID 83027191
5-methoxy-4-N-(2-methyloxolan-3-yl)pyrimidine-4,6-diamine
CID 82737280

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-methyloxan-4-yl)-5-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3-methyloxan-4-yl)-5-propan-2-ylpyrimidine-4,6-diamine (CID 114241708) is 4-N-(3-methyloxan-4-yl)-5-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3-methyloxan-4-yl)-5-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3-methyloxan-4-yl)-5-propan-2-ylpyrimidine-4,6-diamine is CC(C)c1c(N)ncnc1NC1CCOCC1C.
What is the InChIKey of 4-N-(3-methyloxan-4-yl)-5-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is ZIPFRCHXCWEJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-8(2)11-12(14)15-7-16-13(11)17-10-4-5-18-6-9(10)3/h7-10H,4-6H2,1-3H3,(H3,14,15,16,17).
What are the key properties of 4-N-(3-methyloxan-4-yl)-5-propan-2-ylpyrimidine-4,6-diamine?
4-N-(3-methyloxan-4-yl)-5-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 250.35 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-methyloxan-4-yl)-5-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 114241708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).