2-[[(5-amino-6-propoxypyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol

C14H26N4O2 — CID 106251360

IUPAC2-[[(5-amino-6-propoxypyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol
SMILESCCCOc1ncnc(NCC(CC)(CC)CO)c1N
InChIInChI=1S/C14H26N4O2/c1-4-7-20-13-11(15)12(17-10-18-13)16-8-14(5-2,6-3)9-19/h10,19H,4-9,15H2,1-3H3,(H,16,17,18)
InChIKeyHFAMKIZRMRLICM-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.06
Rot. Bonds9

About 2-[[(5-amino-6-propoxypyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol

2-[[(5-amino-6-propoxypyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol (PubChem CID 106251360) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-[[(5-amino-6-propoxypyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-[[(5-amino-6-propoxypyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol
PubChem CID106251360
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name2-[[(5-amino-6-propoxypyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol
SMILESCCCOc1ncnc(NCC(CC)(CC)CO)c1N
InChIInChI=1S/C14H26N4O2/c1-4-7-20-13-11(15)12(17-10-18-13)16-8-14(5-2,6-3)9-19/h10,19H,4-9,15H2,1-3H3,(H,16,17,18)
InChIKeyHFAMKIZRMRLICM-UHFFFAOYSA-N
XLogP2.06
TPSA93.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(5-amino-6-propoxypyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol
CID 106167427
3-[[(5-amino-6-propoxypyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 106113772
3-[(5-amino-6-propoxypyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 106348403
4-N-(3-methylbut-2-enyl)-6-propoxypyrimidine-4,5-diamine
CID 106182344
4-N-(2,2-dimethylbutyl)-6-ethoxypyrimidine-4,5-diamine
CID 103460119
4-N-[(2-methylcyclopropyl)methyl]-6-propoxypyrimidine-4,5-diamine
CID 113463651
tert-butyl N-[2-[(5-amino-6-propoxypyrimidin-4-yl)amino]ethyl]carbamate
CID 104932898
2-[2-[(5-amino-6-propoxypyrimidin-4-yl)amino]ethoxy]acetamide
CID 106234455
3-[(5-amino-6-propoxypyrimidin-4-yl)amino]-4-methylpentan-1-ol
CID 106348239
2-[[(3-amino-4-methyl-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol
CID 106251492
tert-butyl N-[3-[(5-amino-6-propoxypyrimidin-4-yl)amino]propyl]carbamate
CID 104932840
5-amino-4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-1H-pyrimidin-6-one
CID 136864257

Frequently Asked Questions

What is the IUPAC name of 2-[[(5-amino-6-propoxypyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol?
The IUPAC name of 2-[[(5-amino-6-propoxypyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol (CID 106251360) is 2-[[(5-amino-6-propoxypyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol.
What is the SMILES notation for 2-[[(5-amino-6-propoxypyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol?
The canonical SMILES for 2-[[(5-amino-6-propoxypyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol is CCCOc1ncnc(NCC(CC)(CC)CO)c1N.
What is the InChIKey of 2-[[(5-amino-6-propoxypyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol?
The InChIKey is HFAMKIZRMRLICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-4-7-20-13-11(15)12(17-10-18-13)16-8-14(5-2,6-3)9-19/h10,19H,4-9,15H2,1-3H3,(H,16,17,18).
What are the key properties of 2-[[(5-amino-6-propoxypyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol?
2-[[(5-amino-6-propoxypyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol has a molecular weight of 282.39 g/mol, XLogP of 2.06, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5-amino-6-propoxypyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol is sourced from PubChem (CID 106251360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).