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

C13H24N4O2 — CID 106348239

IUPAC3-[(5-amino-6-propoxypyrimidin-4-yl)amino]-4-methylpentan-1-ol
SMILESCCCOc1ncnc(NC(CCO)C(C)C)c1N
InChIInChI=1S/C13H24N4O2/c1-4-7-19-13-11(14)12(15-8-16-13)17-10(5-6-18)9(2)3/h8-10,18H,4-7,14H2,1-3H3,(H,15,16,17)
InChIKeyMBKJEAFCLSFKNR-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.67
Rot. Bonds8

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

3-[(5-amino-6-propoxypyrimidin-4-yl)amino]-4-methylpentan-1-ol (PubChem CID 106348239) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-[(5-amino-6-propoxypyrimidin-4-yl)amino]-4-methylpentan-1-ol.

Molecular Properties

Compound Name3-[(5-amino-6-propoxypyrimidin-4-yl)amino]-4-methylpentan-1-ol
PubChem CID106348239
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name3-[(5-amino-6-propoxypyrimidin-4-yl)amino]-4-methylpentan-1-ol
SMILESCCCOc1ncnc(NC(CCO)C(C)C)c1N
InChIInChI=1S/C13H24N4O2/c1-4-7-19-13-11(14)12(15-8-16-13)17-10(5-6-18)9(2)3/h8-10,18H,4-7,14H2,1-3H3,(H,15,16,17)
InChIKeyMBKJEAFCLSFKNR-UHFFFAOYSA-N
XLogP1.67
TPSA93.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.67
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-[[(5-amino-6-propoxypyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 106113772
2-[[(5-amino-6-propoxypyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol
CID 106251360
4-methyl-3-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]pentan-1-ol
CID 106358084
3-[(6-hydrazinyl-5-methoxypyrimidin-4-yl)amino]-4-methylpentan-1-ol
CID 106358434
3-[(7-aminoquinazolin-4-yl)amino]-4-methylpentan-1-ol
CID 106348202
6-(2-methoxyethoxy)-4-N-propan-2-ylpyrimidine-4,5-diamine
CID 82455271
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-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]-4-methylpentan-1-ol
CID 106358418
2-[2-[(5-amino-6-propoxypyrimidin-4-yl)amino]ethoxy]acetamide
CID 106234455
2-[(5-amino-6-methoxypyrimidin-4-yl)amino]-3-methoxypropan-1-ol
CID 106184118

Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-6-propoxypyrimidin-4-yl)amino]-4-methylpentan-1-ol?
The IUPAC name of 3-[(5-amino-6-propoxypyrimidin-4-yl)amino]-4-methylpentan-1-ol (CID 106348239) is 3-[(5-amino-6-propoxypyrimidin-4-yl)amino]-4-methylpentan-1-ol.
What is the SMILES notation for 3-[(5-amino-6-propoxypyrimidin-4-yl)amino]-4-methylpentan-1-ol?
The canonical SMILES for 3-[(5-amino-6-propoxypyrimidin-4-yl)amino]-4-methylpentan-1-ol is CCCOc1ncnc(NC(CCO)C(C)C)c1N.
What is the InChIKey of 3-[(5-amino-6-propoxypyrimidin-4-yl)amino]-4-methylpentan-1-ol?
The InChIKey is MBKJEAFCLSFKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-4-7-19-13-11(14)12(15-8-16-13)17-10(5-6-18)9(2)3/h8-10,18H,4-7,14H2,1-3H3,(H,15,16,17).
What are the key properties of 3-[(5-amino-6-propoxypyrimidin-4-yl)amino]-4-methylpentan-1-ol?
3-[(5-amino-6-propoxypyrimidin-4-yl)amino]-4-methylpentan-1-ol has a molecular weight of 268.36 g/mol, XLogP of 1.67, 8 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]-4-methylpentan-1-ol is sourced from PubChem (CID 106348239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).