5-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]pentan-2-ol

C12H20ClN3O — CID 106137297

IUPAC5-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]pentan-2-ol
SMILESCC(O)CCCNc1cc(Cl)nc(C(C)C)n1
InChIInChI=1S/C12H20ClN3O/c1-8(2)12-15-10(13)7-11(16-12)14-6-4-5-9(3)17/h7-9,17H,4-6H2,1-3H3,(H,14,15,16)
InChIKeyOZINVUOJBCGPNT-UHFFFAOYSA-N
MW257.77 g/mol
LogP2.83
Rot. Bonds6

About 5-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]pentan-2-ol

5-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]pentan-2-ol (PubChem CID 106137297) has the molecular formula C12H20ClN3O and a molecular weight of 257.77 g/mol. Its IUPAC name is 5-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]pentan-2-ol.

Molecular Properties

Compound Name5-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]pentan-2-ol
PubChem CID106137297
Molecular FormulaC12H20ClN3O
Molecular Weight257.77 g/mol
Exact Mass257.13
IUPAC Name5-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]pentan-2-ol
SMILESCC(O)CCCNc1cc(Cl)nc(C(C)C)n1
InChIInChI=1S/C12H20ClN3O/c1-8(2)12-15-10(13)7-11(16-12)14-6-4-5-9(3)17/h7-9,17H,4-6H2,1-3H3,(H,14,15,16)
InChIKeyOZINVUOJBCGPNT-UHFFFAOYSA-N
XLogP2.83
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.77
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(6-chloro-2-methylpyrimidin-4-yl)amino]pentan-2-ol
CID 107269267
5-[(2-amino-6-chloropyrimidin-4-yl)amino]pentan-2-ol
CID 107269286
N-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 80953327
5-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]pentan-2-ol
CID 106137286
6-chloro-2-propan-2-yl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine
CID 114137332
6-chloro-N-(3-cyclopentylpropyl)-2-propan-2-ylpyrimidin-4-amine
CID 106013954
6-chloro-N-(2-ethoxyethyl)-2-propan-2-ylpyrimidin-4-amine
CID 80954148
5-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-2-methylpentan-1-ol
CID 106163373
N-(2-bromoprop-2-enyl)-6-chloro-2-propan-2-ylpyrimidin-4-amine
CID 106195614
6-chloro-2-propan-2-yl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine
CID 80950784
5-[(2-amino-6-chloropyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 103858567
5-[(6-chloropyridazin-3-yl)amino]pentan-2-ol
CID 106128611

Frequently Asked Questions

What is the IUPAC name of 5-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]pentan-2-ol?
The IUPAC name of 5-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]pentan-2-ol (CID 106137297) is 5-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]pentan-2-ol.
What is the SMILES notation for 5-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]pentan-2-ol?
The canonical SMILES for 5-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]pentan-2-ol is CC(O)CCCNc1cc(Cl)nc(C(C)C)n1.
What is the InChIKey of 5-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]pentan-2-ol?
The InChIKey is OZINVUOJBCGPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3O/c1-8(2)12-15-10(13)7-11(16-12)14-6-4-5-9(3)17/h7-9,17H,4-6H2,1-3H3,(H,14,15,16).
What are the key properties of 5-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]pentan-2-ol?
5-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]pentan-2-ol has a molecular weight of 257.77 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]pentan-2-ol is sourced from PubChem (CID 106137297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).