4-N-(5-methoxypentyl)-2-N-propylpyrimidine-2,4-diamine

C13H24N4O — CID 114131267

IUPAC4-N-(5-methoxypentyl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nccc(NCCCCCOC)n1
InChIInChI=1S/C13H24N4O/c1-3-8-15-13-16-10-7-12(17-13)14-9-5-4-6-11-18-2/h7,10H,3-6,8-9,11H2,1-2H3,(H2,14,15,16,17)
InChIKeyNVVQUWWTMUASTQ-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.53
Rot. Bonds10

About 4-N-(5-methoxypentyl)-2-N-propylpyrimidine-2,4-diamine

4-N-(5-methoxypentyl)-2-N-propylpyrimidine-2,4-diamine (PubChem CID 114131267) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-N-(5-methoxypentyl)-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(5-methoxypentyl)-2-N-propylpyrimidine-2,4-diamine
PubChem CID114131267
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name4-N-(5-methoxypentyl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nccc(NCCCCCOC)n1
InChIInChI=1S/C13H24N4O/c1-3-8-15-13-16-10-7-12(17-13)14-9-5-4-6-11-18-2/h7,10H,3-6,8-9,11H2,1-2H3,(H2,14,15,16,17)
InChIKeyNVVQUWWTMUASTQ-UHFFFAOYSA-N
XLogP2.53
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-N-(2-methoxyethyl)-4-N-pentylpyrimidine-2,4-diamine
CID 112885911
4-N-(5-aminopentyl)-2-N-propylpyrimidine-2,4-diamine
CID 175183922
2-hydrazinyl-N-(3-methoxypropyl)pyrimidin-4-amine
CID 80944536
2-N-ethyl-4-N-octylpyrimidine-2,4-diamine
CID 113336790
2-N-propyl-4-N-(5,5,5-trifluoropentyl)pyrimidine-2,4-diamine
CID 115523174
4-N-(3-methoxypropyl)-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112882663
4-chloro-N-(3-methoxypropyl)pyrimidin-2-amine
CID 154776272
N-[3-[[2-(propylamino)pyrimidin-4-yl]amino]propyl]methanesulfonamide
CID 106332352
2-N-(2-methoxyethyl)-4-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-2,4-diamine
CID 112885905
4-N-(3-cyclopentylpropyl)-2-N-propylpyrimidine-2,4-diamine
CID 106014980
2-N-(4-ethoxyphenyl)-4-N-(3-methoxypropyl)pyrimidine-2,4-diamine
CID 112886110
4-N-(4-ethoxyphenyl)-2-N-(3-methoxypropyl)pyrimidine-2,4-diamine
CID 112886293

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-methoxypentyl)-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(5-methoxypentyl)-2-N-propylpyrimidine-2,4-diamine (CID 114131267) is 4-N-(5-methoxypentyl)-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(5-methoxypentyl)-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(5-methoxypentyl)-2-N-propylpyrimidine-2,4-diamine is CCCNc1nccc(NCCCCCOC)n1.
What is the InChIKey of 4-N-(5-methoxypentyl)-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is NVVQUWWTMUASTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-3-8-15-13-16-10-7-12(17-13)14-9-5-4-6-11-18-2/h7,10H,3-6,8-9,11H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 4-N-(5-methoxypentyl)-2-N-propylpyrimidine-2,4-diamine?
4-N-(5-methoxypentyl)-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 252.36 g/mol, XLogP of 2.53, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-methoxypentyl)-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 114131267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).