(2S)-2-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-3-methylbutan-1-ol

C15H28N4O — CID 80992204

IUPAC(2S)-2-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-3-methylbutan-1-ol
SMILESCCCc1nc(NCC)c(C)c(N[C@H](CO)C(C)C)n1
InChIInChI=1S/C15H28N4O/c1-6-8-13-18-14(16-7-2)11(5)15(19-13)17-12(9-20)10(3)4/h10,12,20H,6-9H2,1-5H3,(H2,16,17,18,19)/t12-/m1/s1
InChIKeyYPLURZASAQLTFP-GFCCVEGCSA-N
MW280.42 g/mol
LogP2.60
Rot. Bonds8

About (2S)-2-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-3-methylbutan-1-ol

(2S)-2-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-3-methylbutan-1-ol (PubChem CID 80992204) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is (2S)-2-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name(2S)-2-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-3-methylbutan-1-ol
PubChem CID80992204
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name(2S)-2-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-3-methylbutan-1-ol
SMILESCCCc1nc(NCC)c(C)c(N[C@H](CO)C(C)C)n1
InChIInChI=1S/C15H28N4O/c1-6-8-13-18-14(16-7-2)11(5)15(19-13)17-12(9-20)10(3)4/h10,12,20H,6-9H2,1-5H3,(H2,16,17,18,19)/t12-/m1/s1
InChIKeyYPLURZASAQLTFP-GFCCVEGCSA-N
XLogP2.60
TPSA70.07 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 ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-3-methylbutan-1-ol with MolForge

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Related Compounds

(2S)-3-methyl-2-[[5-methyl-2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 80992681
2-[[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]propan-1-ol
CID 80993320
3-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-4-methylpentan-1-ol
CID 106358092
4-N-(1-ethoxypropan-2-yl)-6-N-ethyl-5-methyl-2-propylpyrimidine-4,6-diamine
CID 80983313
6-chloro-5-methyl-N-(2-methylpentan-3-yl)-2-propylpyrimidin-4-amine
CID 80971489
5-methyl-4-N-(2-methylpentan-3-yl)-2-propylpyrimidine-4,6-diamine
CID 80987275
2-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-N-methylacetamide
CID 80994288
3-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-2-methylpropane-1,2-diol
CID 80992471
6-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]hexan-1-ol
CID 107855275
N-(3,3-dimethylbutan-2-yl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine
CID 113458137
3-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol
CID 106198617
(2S)-3-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol
CID 79247194

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-3-methylbutan-1-ol?
The IUPAC name of (2S)-2-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-3-methylbutan-1-ol (CID 80992204) is (2S)-2-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-3-methylbutan-1-ol.
What is the SMILES notation for (2S)-2-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-3-methylbutan-1-ol?
The canonical SMILES for (2S)-2-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-3-methylbutan-1-ol is CCCc1nc(NCC)c(C)c(N[C@H](CO)C(C)C)n1.
What is the InChIKey of (2S)-2-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-3-methylbutan-1-ol?
The InChIKey is YPLURZASAQLTFP-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H28N4O/c1-6-8-13-18-14(16-7-2)11(5)15(19-13)17-12(9-20)10(3)4/h10,12,20H,6-9H2,1-5H3,(H2,16,17,18,19)/t12-/m1/s1.
What are the key properties of (2S)-2-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-3-methylbutan-1-ol?
(2S)-2-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-3-methylbutan-1-ol has a molecular weight of 280.42 g/mol, XLogP of 2.60, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-3-methylbutan-1-ol is sourced from PubChem (CID 80992204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).