3-[[(5-amino-6-propoxypyrimidin-4-yl)amino]methyl]hexan-1-ol

C14H26N4O2 — CID 106113772

IUPAC3-[[(5-amino-6-propoxypyrimidin-4-yl)amino]methyl]hexan-1-ol
SMILESCCCOc1ncnc(NCC(CCC)CCO)c1N
InChIInChI=1S/C14H26N4O2/c1-3-5-11(6-7-19)9-16-13-12(15)14(18-10-17-13)20-8-4-2/h10-11,19H,3-9,15H2,1-2H3,(H,16,17,18)
InChIKeyRETWAAPPPXIGKU-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.06
Rot. Bonds10

About 3-[[(5-amino-6-propoxypyrimidin-4-yl)amino]methyl]hexan-1-ol

3-[[(5-amino-6-propoxypyrimidin-4-yl)amino]methyl]hexan-1-ol (PubChem CID 106113772) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-[[(5-amino-6-propoxypyrimidin-4-yl)amino]methyl]hexan-1-ol.

Molecular Properties

Compound Name3-[[(5-amino-6-propoxypyrimidin-4-yl)amino]methyl]hexan-1-ol
PubChem CID106113772
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name3-[[(5-amino-6-propoxypyrimidin-4-yl)amino]methyl]hexan-1-ol
SMILESCCCOc1ncnc(NCC(CCC)CCO)c1N
InChIInChI=1S/C14H26N4O2/c1-3-5-11(6-7-19)9-16-13-12(15)14(18-10-17-13)20-8-4-2/h10-11,19H,3-9,15H2,1-2H3,(H,16,17,18)
InChIKeyRETWAAPPPXIGKU-UHFFFAOYSA-N
XLogP2.06
TPSA93.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
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]-4,4-dimethylpentan-1-ol
CID 106348403
3-[[(6-ethoxy-5-methylpyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 106115794
3-[(5-amino-6-propoxypyrimidin-4-yl)amino]-4-methylpentan-1-ol
CID 106348239
2-[[(5-amino-6-propoxypyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol
CID 106251360
3-[[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 106118660
3-[(5-amino-6-propoxypyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol
CID 106167427
4-N-(3-methylbut-2-enyl)-6-propoxypyrimidine-4,5-diamine
CID 106182344
3-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 113344426
3-[[(6-amino-5-propylpyrimidin-4-yl)amino]methyl]pentan-1-ol
CID 80852382
3-[[(5-amino-3-bromo-2-pyridinyl)amino]methyl]hexan-1-ol
CID 106113765
2-[2-[(5-amino-6-propoxypyrimidin-4-yl)amino]ethoxy]acetamide
CID 106234455
4-N-[(2-methylcyclopropyl)methyl]-6-propoxypyrimidine-4,5-diamine
CID 113463651

Frequently Asked Questions

What is the IUPAC name of 3-[[(5-amino-6-propoxypyrimidin-4-yl)amino]methyl]hexan-1-ol?
The IUPAC name of 3-[[(5-amino-6-propoxypyrimidin-4-yl)amino]methyl]hexan-1-ol (CID 106113772) is 3-[[(5-amino-6-propoxypyrimidin-4-yl)amino]methyl]hexan-1-ol.
What is the SMILES notation for 3-[[(5-amino-6-propoxypyrimidin-4-yl)amino]methyl]hexan-1-ol?
The canonical SMILES for 3-[[(5-amino-6-propoxypyrimidin-4-yl)amino]methyl]hexan-1-ol is CCCOc1ncnc(NCC(CCC)CCO)c1N.
What is the InChIKey of 3-[[(5-amino-6-propoxypyrimidin-4-yl)amino]methyl]hexan-1-ol?
The InChIKey is RETWAAPPPXIGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-3-5-11(6-7-19)9-16-13-12(15)14(18-10-17-13)20-8-4-2/h10-11,19H,3-9,15H2,1-2H3,(H,16,17,18).
What are the key properties of 3-[[(5-amino-6-propoxypyrimidin-4-yl)amino]methyl]hexan-1-ol?
3-[[(5-amino-6-propoxypyrimidin-4-yl)amino]methyl]hexan-1-ol has a molecular weight of 282.39 g/mol, XLogP of 2.06, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5-amino-6-propoxypyrimidin-4-yl)amino]methyl]hexan-1-ol is sourced from PubChem (CID 106113772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).