N-(1,3-dichloro-2-methylpropan-2-yl)-4-ethoxy-6-methylpyrimidin-2-amine

C11H17Cl2N3O — CID 112635793

IUPACN-(1,3-dichloro-2-methylpropan-2-yl)-4-ethoxy-6-methylpyrimidin-2-amine
SMILESCCOc1cc(C)nc(NC(C)(CCl)CCl)n1
InChIInChI=1S/C11H17Cl2N3O/c1-4-17-9-5-8(2)14-10(15-9)16-11(3,6-12)7-13/h5H,4,6-7H2,1-3H3,(H,14,15,16)
InChIKeyCLDHJMGLKQIBCL-UHFFFAOYSA-N
MW278.18 g/mol
LogP2.83
Rot. Bonds6

About N-(1,3-dichloro-2-methylpropan-2-yl)-4-ethoxy-6-methylpyrimidin-2-amine

N-(1,3-dichloro-2-methylpropan-2-yl)-4-ethoxy-6-methylpyrimidin-2-amine (PubChem CID 112635793) has the molecular formula C11H17Cl2N3O and a molecular weight of 278.18 g/mol. Its IUPAC name is N-(1,3-dichloro-2-methylpropan-2-yl)-4-ethoxy-6-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(1,3-dichloro-2-methylpropan-2-yl)-4-ethoxy-6-methylpyrimidin-2-amine
PubChem CID112635793
Molecular FormulaC11H17Cl2N3O
Molecular Weight278.18 g/mol
Exact Mass277.07
IUPAC NameN-(1,3-dichloro-2-methylpropan-2-yl)-4-ethoxy-6-methylpyrimidin-2-amine
SMILESCCOc1cc(C)nc(NC(C)(CCl)CCl)n1
InChIInChI=1S/C11H17Cl2N3O/c1-4-17-9-5-8(2)14-10(15-9)16-11(3,6-12)7-13/h5H,4,6-7H2,1-3H3,(H,14,15,16)
InChIKeyCLDHJMGLKQIBCL-UHFFFAOYSA-N
XLogP2.83
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.18
LogP ≤ 52.83
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

4-ethoxy-N-(1-methoxy-2-methylpropan-2-yl)-6-methylpyrimidin-2-amine
CID 113470425
N-(1-chloro-2-methylbutan-2-yl)-4,6-dimethylpyrimidin-2-amine
CID 65028293
N-(1,3-dichloro-2-methylpropan-2-yl)-4-ethoxypyrimidin-2-amine
CID 112639440
N-(2-chloropropyl)-4-ethoxy-6-methylpyrimidin-2-amine
CID 112635580
4-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]-4-methylpentanoic acid
CID 112634446
4-ethoxy-6-methyl-N-prop-2-ynylpyrimidin-2-amine
CID 112637451
4-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]butan-1-ol
CID 106842653
N'-(4-ethoxy-6-methylpyrimidin-2-yl)-N-ethylethane-1,2-diamine
CID 112634830
4-ethoxy-6-methyl-N-(2-methylsulfanylethyl)pyrimidin-2-amine
CID 112637746
N-(3-chloro-2,2-dimethylpropyl)-4-methyl-6-propoxypyrimidin-2-amine
CID 112635787
3-methyl-3-[(4-methyl-6-propoxypyrimidin-2-yl)amino]pentan-1-ol
CID 106177820
4-ethoxy-6-methyl-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-2-amine
CID 112638194

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dichloro-2-methylpropan-2-yl)-4-ethoxy-6-methylpyrimidin-2-amine?
The IUPAC name of N-(1,3-dichloro-2-methylpropan-2-yl)-4-ethoxy-6-methylpyrimidin-2-amine (CID 112635793) is N-(1,3-dichloro-2-methylpropan-2-yl)-4-ethoxy-6-methylpyrimidin-2-amine.
What is the SMILES notation for N-(1,3-dichloro-2-methylpropan-2-yl)-4-ethoxy-6-methylpyrimidin-2-amine?
The canonical SMILES for N-(1,3-dichloro-2-methylpropan-2-yl)-4-ethoxy-6-methylpyrimidin-2-amine is CCOc1cc(C)nc(NC(C)(CCl)CCl)n1.
What is the InChIKey of N-(1,3-dichloro-2-methylpropan-2-yl)-4-ethoxy-6-methylpyrimidin-2-amine?
The InChIKey is CLDHJMGLKQIBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17Cl2N3O/c1-4-17-9-5-8(2)14-10(15-9)16-11(3,6-12)7-13/h5H,4,6-7H2,1-3H3,(H,14,15,16).
What are the key properties of N-(1,3-dichloro-2-methylpropan-2-yl)-4-ethoxy-6-methylpyrimidin-2-amine?
N-(1,3-dichloro-2-methylpropan-2-yl)-4-ethoxy-6-methylpyrimidin-2-amine has a molecular weight of 278.18 g/mol, XLogP of 2.83, 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-ethoxy-6-methylpyrimidin-2-amine is sourced from PubChem (CID 112635793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).