1-[(2-chloro-7H-purin-6-yl)amino]-3-methoxypropan-2-ol

C9H12ClN5O2 — CID 104697715

IUPAC1-[(2-chloro-7H-purin-6-yl)amino]-3-methoxypropan-2-ol
SMILESCOCC(O)CNc1nc(Cl)nc2nc[nH]c12
InChIInChI=1S/C9H12ClN5O2/c1-17-3-5(16)2-11-7-6-8(13-4-12-6)15-9(10)14-7/h4-5,16H,2-3H2,1H3,(H2,11,12,13,14,15)
InChIKeyNPHGUZLKBQNHTA-UHFFFAOYSA-N
MW257.68 g/mol
LogP0.43
Rot. Bonds5

About 1-[(2-chloro-7H-purin-6-yl)amino]-3-methoxypropan-2-ol

1-[(2-chloro-7H-purin-6-yl)amino]-3-methoxypropan-2-ol (PubChem CID 104697715) has the molecular formula C9H12ClN5O2 and a molecular weight of 257.68 g/mol. Its IUPAC name is 1-[(2-chloro-7H-purin-6-yl)amino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[(2-chloro-7H-purin-6-yl)amino]-3-methoxypropan-2-ol
PubChem CID104697715
Molecular FormulaC9H12ClN5O2
Molecular Weight257.68 g/mol
Exact Mass257.07
IUPAC Name1-[(2-chloro-7H-purin-6-yl)amino]-3-methoxypropan-2-ol
SMILESCOCC(O)CNc1nc(Cl)nc2nc[nH]c12
InChIInChI=1S/C9H12ClN5O2/c1-17-3-5(16)2-11-7-6-8(13-4-12-6)15-9(10)14-7/h4-5,16H,2-3H2,1H3,(H2,11,12,13,14,15)
InChIKeyNPHGUZLKBQNHTA-UHFFFAOYSA-N
XLogP0.43
TPSA95.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.68
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[(2-chloro-7H-purin-6-yl)amino]-3-methoxypropan-2-ol with MolForge

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Related Compounds

4-[(2-chloro-7H-purin-6-yl)amino]-1-methoxybutan-2-ol
CID 106248433
3-[(2-chloro-7H-purin-6-yl)amino]-4-methoxybutan-1-ol
CID 114152161
2-[(2-chloro-7H-purin-6-yl)amino]-1-phenylethanol
CID 104697491
2-chloro-N-(2-ethoxyethyl)-7H-purin-6-amine
CID 104697509
2-chloro-N-propyl-7H-purin-6-amine
CID 22149709
5-[(2-chloro-7H-purin-6-yl)amino]-2-methylpentan-1-ol
CID 114152174
3-[(2-chloro-7H-purin-6-yl)amino]-2,2-dimethylpropanamide
CID 106279554
N-(3-butoxypropyl)-2-chloro-7H-purin-6-amine
CID 113481188
2-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-7H-purin-6-amine
CID 104697676
2-chloro-N-(5-methylhexyl)-7H-purin-6-amine
CID 113442702
3-[(2-chloro-7H-purin-6-yl)amino]-N-methylpropanamide
CID 104697631
1-[(2-amino-7H-purin-6-yl)amino]pentan-2-ol
CID 104623688

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-7H-purin-6-yl)amino]-3-methoxypropan-2-ol?
The IUPAC name of 1-[(2-chloro-7H-purin-6-yl)amino]-3-methoxypropan-2-ol (CID 104697715) is 1-[(2-chloro-7H-purin-6-yl)amino]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[(2-chloro-7H-purin-6-yl)amino]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[(2-chloro-7H-purin-6-yl)amino]-3-methoxypropan-2-ol is COCC(O)CNc1nc(Cl)nc2nc[nH]c12.
What is the InChIKey of 1-[(2-chloro-7H-purin-6-yl)amino]-3-methoxypropan-2-ol?
The InChIKey is NPHGUZLKBQNHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN5O2/c1-17-3-5(16)2-11-7-6-8(13-4-12-6)15-9(10)14-7/h4-5,16H,2-3H2,1H3,(H2,11,12,13,14,15).
What are the key properties of 1-[(2-chloro-7H-purin-6-yl)amino]-3-methoxypropan-2-ol?
1-[(2-chloro-7H-purin-6-yl)amino]-3-methoxypropan-2-ol has a molecular weight of 257.68 g/mol, XLogP of 0.43, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-7H-purin-6-yl)amino]-3-methoxypropan-2-ol is sourced from PubChem (CID 104697715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).