3-[[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]methyl]pentan-3-ol

C15H26N4O — CID 80959054

IUPAC3-[[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]methyl]pentan-3-ol
SMILESCCNc1cc(NCC(O)(CC)CC)nc(C2CC2)n1
InChIInChI=1S/C15H26N4O/c1-4-15(20,5-2)10-17-13-9-12(16-6-3)18-14(19-13)11-7-8-11/h9,11,20H,4-8,10H2,1-3H3,(H2,16,17,18,19)
InChIKeyMLZJABAOZPJPHF-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.75
Rot. Bonds8

About 3-[[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]methyl]pentan-3-ol

3-[[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]methyl]pentan-3-ol (PubChem CID 80959054) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-[[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]methyl]pentan-3-ol
PubChem CID80959054
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name3-[[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]methyl]pentan-3-ol
SMILESCCNc1cc(NCC(O)(CC)CC)nc(C2CC2)n1
InChIInChI=1S/C15H26N4O/c1-4-15(20,5-2)10-17-13-9-12(16-6-3)18-14(19-13)11-7-8-11/h9,11,20H,4-8,10H2,1-3H3,(H2,16,17,18,19)
InChIKeyMLZJABAOZPJPHF-UHFFFAOYSA-N
XLogP2.75
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]methyl]pentan-3-ol with MolForge

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Related Compounds

1-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]-2-methylpentan-2-ol
CID 106296296
2-cyclopropyl-6-N-ethyl-4-N-(2-methylbutan-2-yl)pyrimidine-4,6-diamine
CID 80955815
3-[[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]methyl]pentan-3-ol
CID 80950175
4-N-(cyclobutylmethyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine
CID 80968066
4-[[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 106138643
3-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropan-1-ol
CID 115366436
3-[[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol
CID 80960076
2-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]-N-ethylacetamide
CID 80966811
1-[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]-2-methylpentan-2-ol
CID 114169928
3-[[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]methyl]pentan-3-ol
CID 80978642
2-cyclopropyl-6-N-ethyl-4-N-(4-methylcyclohexyl)pyrimidine-4,6-diamine
CID 80968126
2-cyclopropyl-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
CID 62320790

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]methyl]pentan-3-ol?
The IUPAC name of 3-[[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]methyl]pentan-3-ol (CID 80959054) is 3-[[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]methyl]pentan-3-ol is CCNc1cc(NCC(O)(CC)CC)nc(C2CC2)n1.
What is the InChIKey of 3-[[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]methyl]pentan-3-ol?
The InChIKey is MLZJABAOZPJPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-4-15(20,5-2)10-17-13-9-12(16-6-3)18-14(19-13)11-7-8-11/h9,11,20H,4-8,10H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 3-[[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]methyl]pentan-3-ol?
3-[[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]methyl]pentan-3-ol has a molecular weight of 278.40 g/mol, XLogP of 2.75, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]methyl]pentan-3-ol is sourced from PubChem (CID 80959054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).