1-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]-4-methylpentan-2-ol

C15H28N4O — CID 107159692

IUPAC1-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]-4-methylpentan-2-ol
SMILESCCCc1nc(NCC)cc(NCC(O)CC(C)C)n1
InChIInChI=1S/C15H28N4O/c1-5-7-13-18-14(16-6-2)9-15(19-13)17-10-12(20)8-11(3)4/h9,11-12,20H,5-8,10H2,1-4H3,(H2,16,17,18,19)
InChIKeyIZZIXTASKPIASE-UHFFFAOYSA-N
MW280.42 g/mol
LogP2.68
Rot. Bonds9

About 1-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]-4-methylpentan-2-ol

1-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]-4-methylpentan-2-ol (PubChem CID 107159692) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 1-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]-4-methylpentan-2-ol.

Molecular Properties

Compound Name1-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]-4-methylpentan-2-ol
PubChem CID107159692
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name1-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]-4-methylpentan-2-ol
SMILESCCCc1nc(NCC)cc(NCC(O)CC(C)C)n1
InChIInChI=1S/C15H28N4O/c1-5-7-13-18-14(16-6-2)9-15(19-13)17-10-12(20)8-11(3)4/h9,11-12,20H,5-8,10H2,1-4H3,(H2,16,17,18,19)
InChIKeyIZZIXTASKPIASE-UHFFFAOYSA-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 1-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]-4-methylpentan-2-ol with MolForge

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Related Compounds

4-N-ethyl-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80946507
1-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]-4-methylpentan-2-ol
CID 107159886
2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]propane-1,3-diol
CID 80950028
1-[[2-(ethylamino)-4-pyridinyl]amino]-4-methylpentan-2-ol
CID 107159665
1-[(6-amino-2-propylpyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol
CID 107159526
4-N-(2,3-dimethylbutyl)-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80949730
3-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2-methylpropan-1-ol
CID 80947904
N-ethyl-6-(2-methylpropoxy)-2-propylpyrimidin-4-amine
CID 80949979
1-[(6-amino-2-methylpyrimidin-4-yl)amino]-4-methylpentan-2-ol
CID 107159769
2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]-N-methylpropanamide
CID 80954522
3-[[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]methyl]pentan-3-ol
CID 80950175
2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]-2-methylpropan-1-ol
CID 80954643

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]-4-methylpentan-2-ol?
The IUPAC name of 1-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]-4-methylpentan-2-ol (CID 107159692) is 1-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]-4-methylpentan-2-ol.
What is the SMILES notation for 1-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]-4-methylpentan-2-ol?
The canonical SMILES for 1-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]-4-methylpentan-2-ol is CCCc1nc(NCC)cc(NCC(O)CC(C)C)n1.
What is the InChIKey of 1-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]-4-methylpentan-2-ol?
The InChIKey is IZZIXTASKPIASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-5-7-13-18-14(16-6-2)9-15(19-13)17-10-12(20)8-11(3)4/h9,11-12,20H,5-8,10H2,1-4H3,(H2,16,17,18,19).
What are the key properties of 1-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]-4-methylpentan-2-ol?
1-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]-4-methylpentan-2-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 1-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]-4-methylpentan-2-ol is sourced from PubChem (CID 107159692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).