5-methoxy-4-N-(3-methylcyclobutyl)-6-N-propylpyrimidine-4,6-diamine

C13H22N4O — CID 113467587

IUPAC5-methoxy-4-N-(3-methylcyclobutyl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NC2CC(C)C2)c1OC
InChIInChI=1S/C13H22N4O/c1-4-5-14-12-11(18-3)13(16-8-15-12)17-10-6-9(2)7-10/h8-10H,4-7H2,1-3H3,(H2,14,15,16,17)
InChIKeyRVYTXODGIXYULQ-UHFFFAOYSA-N
MW250.35 g/mol
LogP2.52
Rot. Bonds6

About 5-methoxy-4-N-(3-methylcyclobutyl)-6-N-propylpyrimidine-4,6-diamine

5-methoxy-4-N-(3-methylcyclobutyl)-6-N-propylpyrimidine-4,6-diamine (PubChem CID 113467587) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 5-methoxy-4-N-(3-methylcyclobutyl)-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-methoxy-4-N-(3-methylcyclobutyl)-6-N-propylpyrimidine-4,6-diamine
PubChem CID113467587
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name5-methoxy-4-N-(3-methylcyclobutyl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NC2CC(C)C2)c1OC
InChIInChI=1S/C13H22N4O/c1-4-5-14-12-11(18-3)13(16-8-15-12)17-10-6-9(2)7-10/h8-10H,4-7H2,1-3H3,(H2,14,15,16,17)
InChIKeyRVYTXODGIXYULQ-UHFFFAOYSA-N
XLogP2.52
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3S)-2-[(2-amino-5-methoxypyrimidin-4-yl)amino]-3-methylpentan-1-ol
CID 70856481
4-N-(2-cyclopropylethyl)-5-methoxypyrimidine-2,4-diamine
CID 70856123
5-methoxy-4-N-pentan-2-ylpyrimidine-2,4-diamine
CID 70856478
(2S)-2-[(2-amino-5-methoxypyrimidin-4-yl)amino]-4-methylpentan-1-ol
CID 89966647
5-methoxy-4-N-[(2S)-2-methylbutyl]pyrimidine-2,4-diamine
CID 155518425
6-N-ethyl-5-methoxy-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine
CID 81725306
5-methoxy-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine
CID 81725380
5-methoxy-6-N-methyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine
CID 81725455
6-N-ethyl-5-methoxy-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 81725519
5-methoxy-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 81725594
5-methoxy-6-N-propyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 81725595
5-methoxy-6-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 81725672

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-N-(3-methylcyclobutyl)-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 5-methoxy-4-N-(3-methylcyclobutyl)-6-N-propylpyrimidine-4,6-diamine (CID 113467587) is 5-methoxy-4-N-(3-methylcyclobutyl)-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 5-methoxy-4-N-(3-methylcyclobutyl)-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 5-methoxy-4-N-(3-methylcyclobutyl)-6-N-propylpyrimidine-4,6-diamine is CCCNc1ncnc(NC2CC(C)C2)c1OC.
What is the InChIKey of 5-methoxy-4-N-(3-methylcyclobutyl)-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is RVYTXODGIXYULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-4-5-14-12-11(18-3)13(16-8-15-12)17-10-6-9(2)7-10/h8-10H,4-7H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 5-methoxy-4-N-(3-methylcyclobutyl)-6-N-propylpyrimidine-4,6-diamine?
5-methoxy-4-N-(3-methylcyclobutyl)-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 250.35 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-N-(3-methylcyclobutyl)-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 113467587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).