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

C15H28N4O — CID 80950175

IUPAC3-[[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]methyl]pentan-3-ol
SMILESCCCc1nc(NCC)cc(NCC(O)(CC)CC)n1
InChIInChI=1S/C15H28N4O/c1-5-9-12-18-13(16-8-4)10-14(19-12)17-11-15(20,6-2)7-3/h10,20H,5-9,11H2,1-4H3,(H2,16,17,18,19)
InChIKeyVMCSOMSHEIJGOU-UHFFFAOYSA-N
MW280.42 g/mol
LogP2.82
Rot. Bonds9

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

3-[[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]methyl]pentan-3-ol (PubChem CID 80950175) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 3-[[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]methyl]pentan-3-ol
PubChem CID80950175
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name3-[[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]methyl]pentan-3-ol
SMILESCCCc1nc(NCC)cc(NCC(O)(CC)CC)n1
InChIInChI=1S/C15H28N4O/c1-5-9-12-18-13(16-8-4)10-14(19-12)17-11-15(20,6-2)7-3/h10,20H,5-9,11H2,1-4H3,(H2,16,17,18,19)
InChIKeyVMCSOMSHEIJGOU-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Related Compounds

3-[[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]methyl]pentan-3-ol
CID 80959054
3-[[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]methyl]pentan-3-ol
CID 80937785
4-N-ethyl-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80946507
6-N-ethyl-4-N-(2-methyl-2-methylsulfonylpropyl)-2-propylpyrimidine-4,6-diamine
CID 80943193
4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 80940430
2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]-2-methylpropan-1-ol
CID 80954643
1-[(6-amino-2-propylpyrimidin-4-yl)amino]-2-methylpentan-2-ol
CID 114169930
1-[[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]amino]-2-methylpentan-2-ol
CID 106296318
6-N-methyl-2-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80946119
2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]propane-1,3-diol
CID 80950028
2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]acetamide
CID 80945317
2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]-N-methylacetamide
CID 80955338

Frequently Asked Questions

What is the IUPAC name of 3-[[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]methyl]pentan-3-ol?
The IUPAC name of 3-[[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]methyl]pentan-3-ol (CID 80950175) is 3-[[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]methyl]pentan-3-ol is CCCc1nc(NCC)cc(NCC(O)(CC)CC)n1.
What is the InChIKey of 3-[[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]methyl]pentan-3-ol?
The InChIKey is VMCSOMSHEIJGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-5-9-12-18-13(16-8-4)10-14(19-12)17-11-15(20,6-2)7-3/h10,20H,5-9,11H2,1-4H3,(H2,16,17,18,19).
What are the key properties of 3-[[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]methyl]pentan-3-ol?
3-[[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]methyl]pentan-3-ol has a molecular weight of 280.42 g/mol, XLogP of 2.82, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]methyl]pentan-3-ol is sourced from PubChem (CID 80950175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).