5-methoxy-4-N-[(2-methylcyclopropyl)methyl]-6-N-propylpyrimidine-4,6-diamine

C13H22N4O — CID 113464276

IUPAC5-methoxy-4-N-[(2-methylcyclopropyl)methyl]-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NCC2CC2C)c1OC
InChIInChI=1S/C13H22N4O/c1-4-5-14-12-11(18-3)13(17-8-16-12)15-7-10-6-9(10)2/h8-10H,4-7H2,1-3H3,(H2,14,15,16,17)
InChIKeyBXXNLVDTKBFSTA-UHFFFAOYSA-N
MW250.35 g/mol
LogP2.38
Rot. Bonds7

About 5-methoxy-4-N-[(2-methylcyclopropyl)methyl]-6-N-propylpyrimidine-4,6-diamine

5-methoxy-4-N-[(2-methylcyclopropyl)methyl]-6-N-propylpyrimidine-4,6-diamine (PubChem CID 113464276) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 5-methoxy-4-N-[(2-methylcyclopropyl)methyl]-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-methoxy-4-N-[(2-methylcyclopropyl)methyl]-6-N-propylpyrimidine-4,6-diamine
PubChem CID113464276
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name5-methoxy-4-N-[(2-methylcyclopropyl)methyl]-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NCC2CC2C)c1OC
InChIInChI=1S/C13H22N4O/c1-4-5-14-12-11(18-3)13(17-8-16-12)15-7-10-6-9(10)2/h8-10H,4-7H2,1-3H3,(H2,14,15,16,17)
InChIKeyBXXNLVDTKBFSTA-UHFFFAOYSA-N
XLogP2.38
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2-cyclopropylethyl)-5-methoxypyrimidine-2,4-diamine
CID 70856123
5-ethoxy-4-N-pentylpyrimidine-2,4-diamine
CID 70856447
5-methoxy-4-N-pentan-2-ylpyrimidine-2,4-diamine
CID 70856478
5-methoxy-4-N-[(2S)-2-methylbutyl]pyrimidine-2,4-diamine
CID 155518425
6-[(3R)-3-cyclopropylpiperidin-1-yl]-5-methoxypyrimidin-4-amine
CID 164625877
4-N-(4-fluorobutyl)-5-methoxypyrimidine-2,4-diamine
CID 89966657
4-N-(4,4-difluorohexyl)-5-methoxypyrimidine-2,4-diamine
CID 123392350
4-N-(4,4-difluoropentyl)-5-methoxypyrimidine-2,4-diamine
CID 134569280
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

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-N-[(2-methylcyclopropyl)methyl]-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 5-methoxy-4-N-[(2-methylcyclopropyl)methyl]-6-N-propylpyrimidine-4,6-diamine (CID 113464276) is 5-methoxy-4-N-[(2-methylcyclopropyl)methyl]-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 5-methoxy-4-N-[(2-methylcyclopropyl)methyl]-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 5-methoxy-4-N-[(2-methylcyclopropyl)methyl]-6-N-propylpyrimidine-4,6-diamine is CCCNc1ncnc(NCC2CC2C)c1OC.
What is the InChIKey of 5-methoxy-4-N-[(2-methylcyclopropyl)methyl]-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is BXXNLVDTKBFSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-4-5-14-12-11(18-3)13(17-8-16-12)15-7-10-6-9(10)2/h8-10H,4-7H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 5-methoxy-4-N-[(2-methylcyclopropyl)methyl]-6-N-propylpyrimidine-4,6-diamine?
5-methoxy-4-N-[(2-methylcyclopropyl)methyl]-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 250.35 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-N-[(2-methylcyclopropyl)methyl]-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 113464276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).