N-(1,3-dichloro-2-methylpropan-2-yl)-4-ethoxypyrimidin-2-amine

C10H15Cl2N3O — CID 112639440

IUPACN-(1,3-dichloro-2-methylpropan-2-yl)-4-ethoxypyrimidin-2-amine
SMILESCCOc1ccnc(NC(C)(CCl)CCl)n1
InChIInChI=1S/C10H15Cl2N3O/c1-3-16-8-4-5-13-9(14-8)15-10(2,6-11)7-12/h4-5H,3,6-7H2,1-2H3,(H,13,14,15)
InChIKeyXAPUQRAQWLDFCU-UHFFFAOYSA-N
MW264.16 g/mol
LogP2.52
Rot. Bonds6

About N-(1,3-dichloro-2-methylpropan-2-yl)-4-ethoxypyrimidin-2-amine

N-(1,3-dichloro-2-methylpropan-2-yl)-4-ethoxypyrimidin-2-amine (PubChem CID 112639440) has the molecular formula C10H15Cl2N3O and a molecular weight of 264.16 g/mol. Its IUPAC name is N-(1,3-dichloro-2-methylpropan-2-yl)-4-ethoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-(1,3-dichloro-2-methylpropan-2-yl)-4-ethoxypyrimidin-2-amine
PubChem CID112639440
Molecular FormulaC10H15Cl2N3O
Molecular Weight264.16 g/mol
Exact Mass263.06
IUPAC NameN-(1,3-dichloro-2-methylpropan-2-yl)-4-ethoxypyrimidin-2-amine
SMILESCCOc1ccnc(NC(C)(CCl)CCl)n1
InChIInChI=1S/C10H15Cl2N3O/c1-3-16-8-4-5-13-9(14-8)15-10(2,6-11)7-12/h4-5H,3,6-7H2,1-2H3,(H,13,14,15)
InChIKeyXAPUQRAQWLDFCU-UHFFFAOYSA-N
XLogP2.52
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.16
LogP ≤ 52.52
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-(1,3-dichloro-2-methylpropan-2-yl)-4-ethoxy-6-methylpyrimidin-2-amine
CID 112635793
N-(1-chloropropan-2-yl)-4-ethoxypyrimidin-2-amine
CID 112639273
4-ethoxy-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
CID 112636496
3-[[(4-ethoxypyrimidin-2-yl)amino]methyl]pentan-3-ol
CID 112637987
1-[(4-ethoxypyrimidin-2-yl)amino]-2-methylbutan-2-ol
CID 112637981
N-[4-(chloromethyl)phenyl]-4-ethoxypyrimidin-2-amine
CID 112639276
4-[[(4-ethoxypyrimidin-2-yl)amino]methyl]benzoic acid
CID 115974005
2-[(4-ethoxypyrimidin-2-yl)amino]acetic acid
CID 112635975
N-(2,3-dimethylbutyl)-4-ethoxypyrimidin-2-amine
CID 112637900
N-cyclopropyl-4-ethoxypyrimidin-2-amine
CID 94830398
N-[1-(chloromethyl)cyclopentyl]-4-ethoxypyrimidin-2-amine
CID 112639280
N-[(3-chlorocyclobutyl)methyl]-4-ethoxypyrimidin-2-amine
CID 112639324

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dichloro-2-methylpropan-2-yl)-4-ethoxypyrimidin-2-amine?
The IUPAC name of N-(1,3-dichloro-2-methylpropan-2-yl)-4-ethoxypyrimidin-2-amine (CID 112639440) is N-(1,3-dichloro-2-methylpropan-2-yl)-4-ethoxypyrimidin-2-amine.
What is the SMILES notation for N-(1,3-dichloro-2-methylpropan-2-yl)-4-ethoxypyrimidin-2-amine?
The canonical SMILES for N-(1,3-dichloro-2-methylpropan-2-yl)-4-ethoxypyrimidin-2-amine is CCOc1ccnc(NC(C)(CCl)CCl)n1.
What is the InChIKey of N-(1,3-dichloro-2-methylpropan-2-yl)-4-ethoxypyrimidin-2-amine?
The InChIKey is XAPUQRAQWLDFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15Cl2N3O/c1-3-16-8-4-5-13-9(14-8)15-10(2,6-11)7-12/h4-5H,3,6-7H2,1-2H3,(H,13,14,15).
What are the key properties of N-(1,3-dichloro-2-methylpropan-2-yl)-4-ethoxypyrimidin-2-amine?
N-(1,3-dichloro-2-methylpropan-2-yl)-4-ethoxypyrimidin-2-amine has a molecular weight of 264.16 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dichloro-2-methylpropan-2-yl)-4-ethoxypyrimidin-2-amine is sourced from PubChem (CID 112639440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).