1-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-4-methylpentan-2-ol

C13H24N4O2 — CID 107159733

IUPAC1-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-4-methylpentan-2-ol
SMILESCCNc1ncnc(NCC(O)CC(C)C)c1OC
InChIInChI=1S/C13H24N4O2/c1-5-14-12-11(19-4)13(17-8-16-12)15-7-10(18)6-9(2)3/h8-10,18H,5-7H2,1-4H3,(H2,14,15,16,17)
InChIKeyNURMDNILNFESAK-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.74
Rot. Bonds8

About 1-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-4-methylpentan-2-ol

1-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-4-methylpentan-2-ol (PubChem CID 107159733) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-4-methylpentan-2-ol.

Molecular Properties

Compound Name1-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-4-methylpentan-2-ol
PubChem CID107159733
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name1-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-4-methylpentan-2-ol
SMILESCCNc1ncnc(NCC(O)CC(C)C)c1OC
InChIInChI=1S/C13H24N4O2/c1-5-14-12-11(19-4)13(17-8-16-12)15-7-10(18)6-9(2)3/h8-10,18H,5-7H2,1-4H3,(H2,14,15,16,17)
InChIKeyNURMDNILNFESAK-UHFFFAOYSA-N
XLogP1.74
TPSA79.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-4-methylpentan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-1,1-difluoropropan-2-ol
CID 114094101
6-N-ethyl-5-methoxy-4-N-(2,3,3-trimethylbutyl)pyrimidine-4,6-diamine
CID 83147579
1-[(6-chloro-5-ethylpyrimidin-4-yl)amino]-4-methylpentan-2-ol
CID 107154942
2-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107855567
3-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol
CID 106198550
1-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]-4-methylpentan-2-ol
CID 107159905
5-methoxy-6-N-propyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-4,6-diamine
CID 83146882
1-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]-4,4-dimethylpentan-2-ol
CID 107159522
1-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propan-2-ol
CID 80779051
1-[1-[6-(ethylamino)-5-methoxypyrimidin-4-yl]piperidin-4-yl]ethanol
CID 106839920
4-N-(2-ethoxy-2-methylpropyl)-6-N-ethyl-5-methoxypyrimidine-4,6-diamine
CID 114944716
3-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-2,2-dimethylpropanamide
CID 106280657

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-4-methylpentan-2-ol?
The IUPAC name of 1-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-4-methylpentan-2-ol (CID 107159733) is 1-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-4-methylpentan-2-ol.
What is the SMILES notation for 1-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-4-methylpentan-2-ol?
The canonical SMILES for 1-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-4-methylpentan-2-ol is CCNc1ncnc(NCC(O)CC(C)C)c1OC.
What is the InChIKey of 1-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-4-methylpentan-2-ol?
The InChIKey is NURMDNILNFESAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-5-14-12-11(19-4)13(17-8-16-12)15-7-10(18)6-9(2)3/h8-10,18H,5-7H2,1-4H3,(H2,14,15,16,17).
What are the key properties of 1-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-4-methylpentan-2-ol?
1-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-4-methylpentan-2-ol has a molecular weight of 268.36 g/mol, XLogP of 1.74, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-4-methylpentan-2-ol is sourced from PubChem (CID 107159733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).