5-[(2-amino-6-chloropyrimidin-4-yl)amino]pentan-2-ol

C9H15ClN4O — CID 107269286

IUPAC5-[(2-amino-6-chloropyrimidin-4-yl)amino]pentan-2-ol
SMILESCC(O)CCCNc1cc(Cl)nc(N)n1
InChIInChI=1S/C9H15ClN4O/c1-6(15)3-2-4-12-8-5-7(10)13-9(11)14-8/h5-6,15H,2-4H2,1H3,(H3,11,12,13,14)
InChIKeyQTOCHOKJWGPZCX-UHFFFAOYSA-N
MW230.70 g/mol
LogP1.29
Rot. Bonds5

About 5-[(2-amino-6-chloropyrimidin-4-yl)amino]pentan-2-ol

5-[(2-amino-6-chloropyrimidin-4-yl)amino]pentan-2-ol (PubChem CID 107269286) has the molecular formula C9H15ClN4O and a molecular weight of 230.70 g/mol. Its IUPAC name is 5-[(2-amino-6-chloropyrimidin-4-yl)amino]pentan-2-ol.

Molecular Properties

Compound Name5-[(2-amino-6-chloropyrimidin-4-yl)amino]pentan-2-ol
PubChem CID107269286
Molecular FormulaC9H15ClN4O
Molecular Weight230.70 g/mol
Exact Mass230.09
IUPAC Name5-[(2-amino-6-chloropyrimidin-4-yl)amino]pentan-2-ol
SMILESCC(O)CCCNc1cc(Cl)nc(N)n1
InChIInChI=1S/C9H15ClN4O/c1-6(15)3-2-4-12-8-5-7(10)13-9(11)14-8/h5-6,15H,2-4H2,1H3,(H3,11,12,13,14)
InChIKeyQTOCHOKJWGPZCX-UHFFFAOYSA-N
XLogP1.29
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.70
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(2-amino-6-chloropyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 103858567
5-[(6-chloro-2-methylpyrimidin-4-yl)amino]pentan-2-ol
CID 107269267
5-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]pentan-2-ol
CID 106137297
5-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]pentan-2-ol
CID 106137286
6-chloro-4-N-dodecylpyrimidine-2,4-diamine
CID 15428977
6-chloro-4-N-(4,4,4-trifluorobutyl)pyrimidine-2,4-diamine
CID 79040692
6-chloro-4-N-(3,3-diphenylpropyl)pyrimidine-2,4-diamine
CID 100566790
5-[(4-amino-6-chloro-2-pyridinyl)amino]-2-methylpentan-1-ol
CID 104925080
6-[(2-amino-6-chloropyrimidin-4-yl)amino]hexanoate
CID 7013708
5-[(6-chloropyridazin-3-yl)amino]pentan-2-ol
CID 106128611
6-chloro-4-N-[2-(2-methylsulfonylethoxy)ethyl]pyrimidine-2,4-diamine
CID 133354069
6-chloro-4-N-[(E)-pent-3-enyl]pyrimidine-2,4-diamine
CID 103669525

Frequently Asked Questions

What is the IUPAC name of 5-[(2-amino-6-chloropyrimidin-4-yl)amino]pentan-2-ol?
The IUPAC name of 5-[(2-amino-6-chloropyrimidin-4-yl)amino]pentan-2-ol (CID 107269286) is 5-[(2-amino-6-chloropyrimidin-4-yl)amino]pentan-2-ol.
What is the SMILES notation for 5-[(2-amino-6-chloropyrimidin-4-yl)amino]pentan-2-ol?
The canonical SMILES for 5-[(2-amino-6-chloropyrimidin-4-yl)amino]pentan-2-ol is CC(O)CCCNc1cc(Cl)nc(N)n1.
What is the InChIKey of 5-[(2-amino-6-chloropyrimidin-4-yl)amino]pentan-2-ol?
The InChIKey is QTOCHOKJWGPZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN4O/c1-6(15)3-2-4-12-8-5-7(10)13-9(11)14-8/h5-6,15H,2-4H2,1H3,(H3,11,12,13,14).
What are the key properties of 5-[(2-amino-6-chloropyrimidin-4-yl)amino]pentan-2-ol?
5-[(2-amino-6-chloropyrimidin-4-yl)amino]pentan-2-ol has a molecular weight of 230.70 g/mol, XLogP of 1.29, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-amino-6-chloropyrimidin-4-yl)amino]pentan-2-ol is sourced from PubChem (CID 107269286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).