3-[[(4-ethoxypyrimidin-2-yl)amino]methyl]pentan-3-ol

C12H21N3O2 — CID 112637987

IUPAC3-[[(4-ethoxypyrimidin-2-yl)amino]methyl]pentan-3-ol
SMILESCCOc1ccnc(NCC(O)(CC)CC)n1
InChIInChI=1S/C12H21N3O2/c1-4-12(16,5-2)9-14-11-13-8-7-10(15-11)17-6-3/h7-8,16H,4-6,9H2,1-3H3,(H,13,14,15)
InChIKeyQYDCQYKFYRIALZ-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.84
Rot. Bonds7

About 3-[[(4-ethoxypyrimidin-2-yl)amino]methyl]pentan-3-ol

3-[[(4-ethoxypyrimidin-2-yl)amino]methyl]pentan-3-ol (PubChem CID 112637987) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-[[(4-ethoxypyrimidin-2-yl)amino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[(4-ethoxypyrimidin-2-yl)amino]methyl]pentan-3-ol
PubChem CID112637987
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name3-[[(4-ethoxypyrimidin-2-yl)amino]methyl]pentan-3-ol
SMILESCCOc1ccnc(NCC(O)(CC)CC)n1
InChIInChI=1S/C12H21N3O2/c1-4-12(16,5-2)9-14-11-13-8-7-10(15-11)17-6-3/h7-8,16H,4-6,9H2,1-3H3,(H,13,14,15)
InChIKeyQYDCQYKFYRIALZ-UHFFFAOYSA-N
XLogP1.84
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-ethoxypyrimidin-2-yl)amino]-2-methylbutan-2-ol
CID 112637981
4-ethoxy-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
CID 112636496
2-[(4-ethoxypyrimidin-2-yl)amino]acetic acid
CID 112635975
N-tert-butyl-2-[(4-ethoxypyrimidin-2-yl)amino]acetamide
CID 112638339
4-[[(4-ethoxypyrimidin-2-yl)amino]methyl]benzoic acid
CID 115974005
3-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]pentan-3-ol
CID 115355171
N-(2,3-dimethylbutyl)-4-ethoxypyrimidin-2-amine
CID 112637900
N-(1,3-dichloro-2-methylpropan-2-yl)-4-ethoxypyrimidin-2-amine
CID 112639440
4-ethoxy-N-[2-(2-methoxyethoxy)ethyl]pyrimidin-2-amine
CID 112637344
N'-(4-ethoxypyrimidin-2-yl)-N-ethylpropane-1,3-diamine
CID 112638517
N-(2-ethoxy-2-methylpropyl)-4-methoxypyrimidin-2-amine
CID 114942889
4-ethoxy-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 112636546

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-ethoxypyrimidin-2-yl)amino]methyl]pentan-3-ol?
The IUPAC name of 3-[[(4-ethoxypyrimidin-2-yl)amino]methyl]pentan-3-ol (CID 112637987) is 3-[[(4-ethoxypyrimidin-2-yl)amino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[(4-ethoxypyrimidin-2-yl)amino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[(4-ethoxypyrimidin-2-yl)amino]methyl]pentan-3-ol is CCOc1ccnc(NCC(O)(CC)CC)n1.
What is the InChIKey of 3-[[(4-ethoxypyrimidin-2-yl)amino]methyl]pentan-3-ol?
The InChIKey is QYDCQYKFYRIALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-4-12(16,5-2)9-14-11-13-8-7-10(15-11)17-6-3/h7-8,16H,4-6,9H2,1-3H3,(H,13,14,15).
What are the key properties of 3-[[(4-ethoxypyrimidin-2-yl)amino]methyl]pentan-3-ol?
3-[[(4-ethoxypyrimidin-2-yl)amino]methyl]pentan-3-ol has a molecular weight of 239.32 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-ethoxypyrimidin-2-yl)amino]methyl]pentan-3-ol is sourced from PubChem (CID 112637987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).