N-(1-chloro-2-methylbutan-2-yl)-6-methoxypyrimidin-4-amine

C10H16ClN3O — CID 66317641

IUPACN-(1-chloro-2-methylbutan-2-yl)-6-methoxypyrimidin-4-amine
SMILESCCC(C)(CCl)Nc1cc(OC)ncn1
InChIInChI=1S/C10H16ClN3O/c1-4-10(2,6-11)14-8-5-9(15-3)13-7-12-8/h5,7H,4,6H2,1-3H3,(H,12,13,14)
InChIKeyCZPYNEMVKGHETC-UHFFFAOYSA-N
MW229.71 g/mol
LogP2.30
Rot. Bonds5

About N-(1-chloro-2-methylbutan-2-yl)-6-methoxypyrimidin-4-amine

N-(1-chloro-2-methylbutan-2-yl)-6-methoxypyrimidin-4-amine (PubChem CID 66317641) has the molecular formula C10H16ClN3O and a molecular weight of 229.71 g/mol. Its IUPAC name is N-(1-chloro-2-methylbutan-2-yl)-6-methoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-chloro-2-methylbutan-2-yl)-6-methoxypyrimidin-4-amine
PubChem CID66317641
Molecular FormulaC10H16ClN3O
Molecular Weight229.71 g/mol
Exact Mass229.10
IUPAC NameN-(1-chloro-2-methylbutan-2-yl)-6-methoxypyrimidin-4-amine
SMILESCCC(C)(CCl)Nc1cc(OC)ncn1
InChIInChI=1S/C10H16ClN3O/c1-4-10(2,6-11)14-8-5-9(15-3)13-7-12-8/h5,7H,4,6H2,1-3H3,(H,12,13,14)
InChIKeyCZPYNEMVKGHETC-UHFFFAOYSA-N
XLogP2.30
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-2-methylbutan-2-yl)-6-methoxypyrimidin-4-amine?
The IUPAC name of N-(1-chloro-2-methylbutan-2-yl)-6-methoxypyrimidin-4-amine (CID 66317641) is N-(1-chloro-2-methylbutan-2-yl)-6-methoxypyrimidin-4-amine.
What is the SMILES notation for N-(1-chloro-2-methylbutan-2-yl)-6-methoxypyrimidin-4-amine?
The canonical SMILES for N-(1-chloro-2-methylbutan-2-yl)-6-methoxypyrimidin-4-amine is CCC(C)(CCl)Nc1cc(OC)ncn1.
What is the InChIKey of N-(1-chloro-2-methylbutan-2-yl)-6-methoxypyrimidin-4-amine?
The InChIKey is CZPYNEMVKGHETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O/c1-4-10(2,6-11)14-8-5-9(15-3)13-7-12-8/h5,7H,4,6H2,1-3H3,(H,12,13,14).
What are the key properties of N-(1-chloro-2-methylbutan-2-yl)-6-methoxypyrimidin-4-amine?
N-(1-chloro-2-methylbutan-2-yl)-6-methoxypyrimidin-4-amine has a molecular weight of 229.71 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-2-methylbutan-2-yl)-6-methoxypyrimidin-4-amine is sourced from PubChem (CID 66317641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).