N-(1-chloropropan-2-yl)-4-ethoxypyrimidin-2-amine

C9H14ClN3O — CID 112639273

IUPACN-(1-chloropropan-2-yl)-4-ethoxypyrimidin-2-amine
SMILESCCOc1ccnc(NC(C)CCl)n1
InChIInChI=1S/C9H14ClN3O/c1-3-14-8-4-5-11-9(13-8)12-7(2)6-10/h4-5,7H,3,6H2,1-2H3,(H,11,12,13)
InChIKeyFRNUEVQYWWOYOW-UHFFFAOYSA-N
MW215.68 g/mol
LogP1.91
Rot. Bonds5

About N-(1-chloropropan-2-yl)-4-ethoxypyrimidin-2-amine

N-(1-chloropropan-2-yl)-4-ethoxypyrimidin-2-amine (PubChem CID 112639273) has the molecular formula C9H14ClN3O and a molecular weight of 215.68 g/mol. Its IUPAC name is N-(1-chloropropan-2-yl)-4-ethoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-(1-chloropropan-2-yl)-4-ethoxypyrimidin-2-amine
PubChem CID112639273
Molecular FormulaC9H14ClN3O
Molecular Weight215.68 g/mol
Exact Mass215.08
IUPAC NameN-(1-chloropropan-2-yl)-4-ethoxypyrimidin-2-amine
SMILESCCOc1ccnc(NC(C)CCl)n1
InChIInChI=1S/C9H14ClN3O/c1-3-14-8-4-5-11-9(13-8)12-7(2)6-10/h4-5,7H,3,6H2,1-2H3,(H,11,12,13)
InChIKeyFRNUEVQYWWOYOW-UHFFFAOYSA-N
XLogP1.91
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1-chloropropan-2-yl)-4-propan-2-yloxypyrimidin-2-amine
CID 112639274
4-ethoxy-N-[1-(4-methylphenoxy)propan-2-yl]pyrimidin-2-amine
CID 115974641
N-(1,3-dichloro-2-methylpropan-2-yl)-4-ethoxypyrimidin-2-amine
CID 112639440
N-[1-(4-aminophenyl)ethyl]-4-ethoxypyrimidin-2-amine
CID 112638879
4-ethoxy-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
CID 112636496
N-[4-(chloromethyl)phenyl]-4-ethoxypyrimidin-2-amine
CID 112639276
4-ethoxy-N-(1-phenylpropyl)pyrimidin-2-amine
CID 112637466
N-(2,3-dimethylbutyl)-4-ethoxypyrimidin-2-amine
CID 112637900
3-[(4-propoxypyrimidin-2-yl)amino]butan-1-ol
CID 112638477
N-(1-chlorobutan-2-yl)-4-methoxypyrimidin-2-amine
CID 65030298
N-[1-(chloromethyl)cyclopentyl]-4-ethoxypyrimidin-2-amine
CID 112639280
1-N,1-N-diethyl-2-N-(4-propan-2-yloxypyrimidin-2-yl)propane-1,2-diamine
CID 112637409

Frequently Asked Questions

What is the IUPAC name of N-(1-chloropropan-2-yl)-4-ethoxypyrimidin-2-amine?
The IUPAC name of N-(1-chloropropan-2-yl)-4-ethoxypyrimidin-2-amine (CID 112639273) is N-(1-chloropropan-2-yl)-4-ethoxypyrimidin-2-amine.
What is the SMILES notation for N-(1-chloropropan-2-yl)-4-ethoxypyrimidin-2-amine?
The canonical SMILES for N-(1-chloropropan-2-yl)-4-ethoxypyrimidin-2-amine is CCOc1ccnc(NC(C)CCl)n1.
What is the InChIKey of N-(1-chloropropan-2-yl)-4-ethoxypyrimidin-2-amine?
The InChIKey is FRNUEVQYWWOYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O/c1-3-14-8-4-5-11-9(13-8)12-7(2)6-10/h4-5,7H,3,6H2,1-2H3,(H,11,12,13).
What are the key properties of N-(1-chloropropan-2-yl)-4-ethoxypyrimidin-2-amine?
N-(1-chloropropan-2-yl)-4-ethoxypyrimidin-2-amine has a molecular weight of 215.68 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloropropan-2-yl)-4-ethoxypyrimidin-2-amine is sourced from PubChem (CID 112639273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).