4-[2-amino-4-(butylamino)-6-methylpyrimidin-5-yl]butan-1-ol

C13H24N4O — CID 135260399

IUPAC4-[2-amino-4-(butylamino)-6-methylpyrimidin-5-yl]butan-1-ol
SMILESCCCCNc1nc(N)nc(C)c1CCCCO
InChIInChI=1S/C13H24N4O/c1-3-4-8-15-12-11(7-5-6-9-18)10(2)16-13(14)17-12/h18H,3-9H2,1-2H3,(H3,14,15,16,17)
InChIKeyTWXDNVYKWGTDNY-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.89
Rot. Bonds8

About 4-[2-amino-4-(butylamino)-6-methylpyrimidin-5-yl]butan-1-ol

4-[2-amino-4-(butylamino)-6-methylpyrimidin-5-yl]butan-1-ol (PubChem CID 135260399) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-[2-amino-4-(butylamino)-6-methylpyrimidin-5-yl]butan-1-ol.

Molecular Properties

Compound Name4-[2-amino-4-(butylamino)-6-methylpyrimidin-5-yl]butan-1-ol
PubChem CID135260399
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name4-[2-amino-4-(butylamino)-6-methylpyrimidin-5-yl]butan-1-ol
SMILESCCCCNc1nc(N)nc(C)c1CCCCO
InChIInChI=1S/C13H24N4O/c1-3-4-8-15-12-11(7-5-6-9-18)10(2)16-13(14)17-12/h18H,3-9H2,1-2H3,(H3,14,15,16,17)
InChIKeyTWXDNVYKWGTDNY-UHFFFAOYSA-N
XLogP1.89
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-4-(butylamino)-6-methylpyrimidin-5-yl]butan-1-ol?
The IUPAC name of 4-[2-amino-4-(butylamino)-6-methylpyrimidin-5-yl]butan-1-ol (CID 135260399) is 4-[2-amino-4-(butylamino)-6-methylpyrimidin-5-yl]butan-1-ol.
What is the SMILES notation for 4-[2-amino-4-(butylamino)-6-methylpyrimidin-5-yl]butan-1-ol?
The canonical SMILES for 4-[2-amino-4-(butylamino)-6-methylpyrimidin-5-yl]butan-1-ol is CCCCNc1nc(N)nc(C)c1CCCCO.
What is the InChIKey of 4-[2-amino-4-(butylamino)-6-methylpyrimidin-5-yl]butan-1-ol?
The InChIKey is TWXDNVYKWGTDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-3-4-8-15-12-11(7-5-6-9-18)10(2)16-13(14)17-12/h18H,3-9H2,1-2H3,(H3,14,15,16,17).
What are the key properties of 4-[2-amino-4-(butylamino)-6-methylpyrimidin-5-yl]butan-1-ol?
4-[2-amino-4-(butylamino)-6-methylpyrimidin-5-yl]butan-1-ol has a molecular weight of 252.36 g/mol, XLogP of 1.89, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-4-(butylamino)-6-methylpyrimidin-5-yl]butan-1-ol is sourced from PubChem (CID 135260399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).