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

C15H28N4O — CID 135260416

IUPAC5-[2-amino-4-(butylamino)-6-methylpyrimidin-5-yl]-2-methylpentan-2-ol
SMILESCCCCNc1nc(N)nc(C)c1CCCC(C)(C)O
InChIInChI=1S/C15H28N4O/c1-5-6-10-17-13-12(8-7-9-15(3,4)20)11(2)18-14(16)19-13/h20H,5-10H2,1-4H3,(H3,16,17,18,19)
InChIKeyFFHKACIWNAOTCH-UHFFFAOYSA-N
MW280.42 g/mol
LogP2.67
Rot. Bonds8

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

5-[2-amino-4-(butylamino)-6-methylpyrimidin-5-yl]-2-methylpentan-2-ol (PubChem CID 135260416) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 5-[2-amino-4-(butylamino)-6-methylpyrimidin-5-yl]-2-methylpentan-2-ol.

Molecular Properties

Compound Name5-[2-amino-4-(butylamino)-6-methylpyrimidin-5-yl]-2-methylpentan-2-ol
PubChem CID135260416
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name5-[2-amino-4-(butylamino)-6-methylpyrimidin-5-yl]-2-methylpentan-2-ol
SMILESCCCCNc1nc(N)nc(C)c1CCCC(C)(C)O
InChIInChI=1S/C15H28N4O/c1-5-6-10-17-13-12(8-7-9-15(3,4)20)11(2)18-14(16)19-13/h20H,5-10H2,1-4H3,(H3,16,17,18,19)
InChIKeyFFHKACIWNAOTCH-UHFFFAOYSA-N
XLogP2.67
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 52.67
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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Related Compounds

4-N,5-dibutyl-6-methylpyrimidine-2,4-diamine
CID 135271003
4-N-butyl-6-methyl-5-pentylpyrimidine-2,4-diamine
CID 135271007
4-N-butyl-5-[3-(dimethylamino)propyl]-6-methylpyrimidine-2,4-diamine
CID 135271012
4-N-butyl-5-[3-(diethylamino)propyl]-6-methylpyrimidine-2,4-diamine
CID 135271022
5-(5-aminopentyl)-4-N-butyl-6-methylpyrimidine-2,4-diamine;dihydrochloride
CID 155512682
5-(4-aminobutyl)-4-N-butyl-6-methylpyrimidine-2,4-diamine;dihydrochloride
CID 155543587
4-[2-Amino-4-(butylamino)-6-methylpyrimidin-5-yl]butan-1-ol
CID 135260399
4-[2-Amino-4-(butylamino)-6-methylpyrimidin-5-yl]-2-methylbutan-2-ol
CID 135260404
5-(3-aminopropyl)-4-N-butyl-6-methylpyrimidine-2,4-diamine;dihydrochloride
CID 135260422
4-N-butyl-5-(3-cyclohexylpropyl)-6-methylpyrimidine-2,4-diamine
CID 135271021
2,4-Pyrimidinediamine, 5-hexyl-6-methyl-N,N'-dioctyl-
CID 5276773
5-hexyl-4-methyl-N-octyl-6-pyrrolidin-1-yl-pyrimidin-2-amine
CID 5276774

Frequently Asked Questions

What is the IUPAC name of 5-[2-amino-4-(butylamino)-6-methylpyrimidin-5-yl]-2-methylpentan-2-ol?
The IUPAC name of 5-[2-amino-4-(butylamino)-6-methylpyrimidin-5-yl]-2-methylpentan-2-ol (CID 135260416) is 5-[2-amino-4-(butylamino)-6-methylpyrimidin-5-yl]-2-methylpentan-2-ol.
What is the SMILES notation for 5-[2-amino-4-(butylamino)-6-methylpyrimidin-5-yl]-2-methylpentan-2-ol?
The canonical SMILES for 5-[2-amino-4-(butylamino)-6-methylpyrimidin-5-yl]-2-methylpentan-2-ol is CCCCNc1nc(N)nc(C)c1CCCC(C)(C)O.
What is the InChIKey of 5-[2-amino-4-(butylamino)-6-methylpyrimidin-5-yl]-2-methylpentan-2-ol?
The InChIKey is FFHKACIWNAOTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-5-6-10-17-13-12(8-7-9-15(3,4)20)11(2)18-14(16)19-13/h20H,5-10H2,1-4H3,(H3,16,17,18,19).
What are the key properties of 5-[2-amino-4-(butylamino)-6-methylpyrimidin-5-yl]-2-methylpentan-2-ol?
5-[2-amino-4-(butylamino)-6-methylpyrimidin-5-yl]-2-methylpentan-2-ol has a molecular weight of 280.42 g/mol, XLogP of 2.67, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-amino-4-(butylamino)-6-methylpyrimidin-5-yl]-2-methylpentan-2-ol is sourced from PubChem (CID 135260416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).