N-(1-chloro-3-methoxypropan-2-yl)-6-methoxy-2-methylpyrimidin-4-amine

C10H16ClN3O2 — CID 106181967

IUPACN-(1-chloro-3-methoxypropan-2-yl)-6-methoxy-2-methylpyrimidin-4-amine
SMILESCOCC(CCl)Nc1cc(OC)nc(C)n1
InChIInChI=1S/C10H16ClN3O2/c1-7-12-9(4-10(13-7)16-3)14-8(5-11)6-15-2/h4,8H,5-6H2,1-3H3,(H,12,13,14)
InChIKeySXLQNPPSERZSEB-UHFFFAOYSA-N
MW245.71 g/mol
LogP1.46
Rot. Bonds6

About N-(1-chloro-3-methoxypropan-2-yl)-6-methoxy-2-methylpyrimidin-4-amine

N-(1-chloro-3-methoxypropan-2-yl)-6-methoxy-2-methylpyrimidin-4-amine (PubChem CID 106181967) has the molecular formula C10H16ClN3O2 and a molecular weight of 245.71 g/mol. Its IUPAC name is N-(1-chloro-3-methoxypropan-2-yl)-6-methoxy-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-chloro-3-methoxypropan-2-yl)-6-methoxy-2-methylpyrimidin-4-amine
PubChem CID106181967
Molecular FormulaC10H16ClN3O2
Molecular Weight245.71 g/mol
Exact Mass245.09
IUPAC NameN-(1-chloro-3-methoxypropan-2-yl)-6-methoxy-2-methylpyrimidin-4-amine
SMILESCOCC(CCl)Nc1cc(OC)nc(C)n1
InChIInChI=1S/C10H16ClN3O2/c1-7-12-9(4-10(13-7)16-3)14-8(5-11)6-15-2/h4,8H,5-6H2,1-3H3,(H,12,13,14)
InChIKeySXLQNPPSERZSEB-UHFFFAOYSA-N
XLogP1.46
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-3-methoxypropan-2-yl)-6-methoxy-2-methylpyrimidin-4-amine?
The IUPAC name of N-(1-chloro-3-methoxypropan-2-yl)-6-methoxy-2-methylpyrimidin-4-amine (CID 106181967) is N-(1-chloro-3-methoxypropan-2-yl)-6-methoxy-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-(1-chloro-3-methoxypropan-2-yl)-6-methoxy-2-methylpyrimidin-4-amine?
The canonical SMILES for N-(1-chloro-3-methoxypropan-2-yl)-6-methoxy-2-methylpyrimidin-4-amine is COCC(CCl)Nc1cc(OC)nc(C)n1.
What is the InChIKey of N-(1-chloro-3-methoxypropan-2-yl)-6-methoxy-2-methylpyrimidin-4-amine?
The InChIKey is SXLQNPPSERZSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O2/c1-7-12-9(4-10(13-7)16-3)14-8(5-11)6-15-2/h4,8H,5-6H2,1-3H3,(H,12,13,14).
What are the key properties of N-(1-chloro-3-methoxypropan-2-yl)-6-methoxy-2-methylpyrimidin-4-amine?
N-(1-chloro-3-methoxypropan-2-yl)-6-methoxy-2-methylpyrimidin-4-amine has a molecular weight of 245.71 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-3-methoxypropan-2-yl)-6-methoxy-2-methylpyrimidin-4-amine is sourced from PubChem (CID 106181967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).