(2S)-3-methyl-2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol

C15H28N4O — CID 80848746

IUPAC(2S)-3-methyl-2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
SMILESCCCNc1ncnc(N[C@H](CO)C(C)C)c1CCC
InChIInChI=1S/C15H28N4O/c1-5-7-12-14(16-8-6-2)17-10-18-15(12)19-13(9-20)11(3)4/h10-11,13,20H,5-9H2,1-4H3,(H2,16,17,18,19)/t13-/m1/s1
InChIKeyQIGQBSYVBDEZMU-CYBMUJFWSA-N
MW280.42 g/mol
LogP2.68
Rot. Bonds9

About (2S)-3-methyl-2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol

(2S)-3-methyl-2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol (PubChem CID 80848746) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is (2S)-3-methyl-2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol.

Molecular Properties

Compound Name(2S)-3-methyl-2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
PubChem CID80848746
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name(2S)-3-methyl-2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
SMILESCCCNc1ncnc(N[C@H](CO)C(C)C)c1CCC
InChIInChI=1S/C15H28N4O/c1-5-7-12-14(16-8-6-2)17-10-18-15(12)19-13(9-20)11(3)4/h10-11,13,20H,5-9H2,1-4H3,(H2,16,17,18,19)/t13-/m1/s1
InChIKeyQIGQBSYVBDEZMU-CYBMUJFWSA-N
XLogP2.68
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S)-3-methyl-2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol with MolForge

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Related Compounds

3-methyl-2-[[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 80848033
4-methyl-3-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]pentan-1-ol
CID 106358084
methyl 2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate
CID 80802366
2-methyl-2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80779958
2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]ethylurea
CID 83117732
3-[[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]pentan-1-ol
CID 80840015
N-methyl-2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]acetamide
CID 80783919
N-ethyl-2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]acetamide
CID 80788303
2-methyl-5-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]pentan-1-ol
CID 106163228
4-N-[1-(furan-2-yl)ethyl]-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80773789
6-(3-methylbutan-2-yloxy)-N,5-dipropylpyrimidin-4-amine
CID 80882614
6-N,5-dipropyl-4-N-(1-thiophen-3-ylethyl)pyrimidine-4,6-diamine
CID 80805122

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol?
The IUPAC name of (2S)-3-methyl-2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol (CID 80848746) is (2S)-3-methyl-2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol.
What is the SMILES notation for (2S)-3-methyl-2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol?
The canonical SMILES for (2S)-3-methyl-2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol is CCCNc1ncnc(N[C@H](CO)C(C)C)c1CCC.
What is the InChIKey of (2S)-3-methyl-2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol?
The InChIKey is QIGQBSYVBDEZMU-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H28N4O/c1-5-7-12-14(16-8-6-2)17-10-18-15(12)19-13(9-20)11(3)4/h10-11,13,20H,5-9H2,1-4H3,(H2,16,17,18,19)/t13-/m1/s1.
What are the key properties of (2S)-3-methyl-2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol?
(2S)-3-methyl-2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol has a molecular weight of 280.42 g/mol, XLogP of 2.68, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol is sourced from PubChem (CID 80848746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).