3-[[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]-4-methoxybutan-1-ol

C15H26N4O2 — CID 106163143

IUPAC3-[[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]-4-methoxybutan-1-ol
SMILESCCNc1nc(C2CC2)nc(NC(CCO)COC)c1C
InChIInChI=1S/C15H26N4O2/c1-4-16-13-10(2)14(17-12(7-8-20)9-21-3)19-15(18-13)11-5-6-11/h11-12,20H,4-9H2,1-3H3,(H2,16,17,18,19)
InChIKeyTUVNGEXVHZLQSY-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.90
Rot. Bonds9

About 3-[[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]-4-methoxybutan-1-ol

3-[[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]-4-methoxybutan-1-ol (PubChem CID 106163143) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 3-[[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]-4-methoxybutan-1-ol.

Molecular Properties

Compound Name3-[[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]-4-methoxybutan-1-ol
PubChem CID106163143
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name3-[[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]-4-methoxybutan-1-ol
SMILESCCNc1nc(C2CC2)nc(NC(CCO)COC)c1C
InChIInChI=1S/C15H26N4O2/c1-4-16-13-10(2)14(17-12(7-8-20)9-21-3)19-15(18-13)11-5-6-11/h11-12,20H,4-9H2,1-3H3,(H2,16,17,18,19)
InChIKeyTUVNGEXVHZLQSY-UHFFFAOYSA-N
XLogP1.90
TPSA79.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]-4-methoxybutan-1-ol with MolForge

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Related Compounds

3-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]-4-methoxybutan-1-ol
CID 106162439
3-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol
CID 114152264
2-cyclopropyl-6-N-ethyl-4-N-(1-methoxypentan-2-yl)pyrimidine-4,6-diamine
CID 80959752
3-[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]-4-methoxybutan-1-ol
CID 114152265
2-cyclopropyl-N-ethyl-5-methyl-6-(3-methylbutoxy)pyrimidin-4-amine
CID 80989739
2-cyclopropyl-6-N-ethyl-4-N-(2-methoxyethyl)-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80986849
2-cyclopropyl-4-N-(2,3-dimethylbutyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80985256
3-[2-[[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]ethylsulfanyl]propan-1-ol
CID 106311788
2-cyclopropyl-4-N-(3-methoxy-2-methylpropyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80984401
4-N-butyl-2-cyclopropyl-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80981195
2-cyclopropyl-N-ethyl-5-methyl-6-propoxypyrimidin-4-amine
CID 80988977
2-[[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]-2-methylpropanamide
CID 80982786

Frequently Asked Questions

What is the IUPAC name of 3-[[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]-4-methoxybutan-1-ol?
The IUPAC name of 3-[[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]-4-methoxybutan-1-ol (CID 106163143) is 3-[[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]-4-methoxybutan-1-ol.
What is the SMILES notation for 3-[[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]-4-methoxybutan-1-ol?
The canonical SMILES for 3-[[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]-4-methoxybutan-1-ol is CCNc1nc(C2CC2)nc(NC(CCO)COC)c1C.
What is the InChIKey of 3-[[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]-4-methoxybutan-1-ol?
The InChIKey is TUVNGEXVHZLQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-4-16-13-10(2)14(17-12(7-8-20)9-21-3)19-15(18-13)11-5-6-11/h11-12,20H,4-9H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 3-[[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]-4-methoxybutan-1-ol?
3-[[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]-4-methoxybutan-1-ol has a molecular weight of 294.40 g/mol, XLogP of 1.90, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]-4-methoxybutan-1-ol is sourced from PubChem (CID 106163143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).