N-(2-chloroethyl)-N-ethyl-4,6-dimethoxypyrimidin-2-amine

C10H16ClN3O2 — CID 115355694

IUPACN-(2-chloroethyl)-N-ethyl-4,6-dimethoxypyrimidin-2-amine
SMILESCCN(CCCl)c1nc(OC)cc(OC)n1
InChIInChI=1S/C10H16ClN3O2/c1-4-14(6-5-11)10-12-8(15-2)7-9(13-10)16-3/h7H,4-6H2,1-3H3
InChIKeyBUPGIYWXGVRZNP-UHFFFAOYSA-N
MW245.71 g/mol
LogP1.56
Rot. Bonds6

About N-(2-chloroethyl)-N-ethyl-4,6-dimethoxypyrimidin-2-amine

N-(2-chloroethyl)-N-ethyl-4,6-dimethoxypyrimidin-2-amine (PubChem CID 115355694) has the molecular formula C10H16ClN3O2 and a molecular weight of 245.71 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-ethyl-4,6-dimethoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-ethyl-4,6-dimethoxypyrimidin-2-amine
PubChem CID115355694
Molecular FormulaC10H16ClN3O2
Molecular Weight245.71 g/mol
Exact Mass245.09
IUPAC NameN-(2-chloroethyl)-N-ethyl-4,6-dimethoxypyrimidin-2-amine
SMILESCCN(CCCl)c1nc(OC)cc(OC)n1
InChIInChI=1S/C10H16ClN3O2/c1-4-14(6-5-11)10-12-8(15-2)7-9(13-10)16-3/h7H,4-6H2,1-3H3
InChIKeyBUPGIYWXGVRZNP-UHFFFAOYSA-N
XLogP1.56
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-N-(2-chloroethyl)-4,6-dimethoxypyrimidin-2-amine
CID 113293065
methyl 3-[(4,6-dimethoxypyrimidin-2-yl)-ethylamino]propanoate
CID 113293035
2-[(4,6-dimethoxypyrimidin-2-yl)-ethylamino]acetic acid
CID 115354708
N,N-bis(2-chloroethyl)-4-methoxypyrimidin-2-amine
CID 54226938
5-bromo-N-(2-chloroethyl)-N-ethyl-4-methoxypyrimidin-2-amine
CID 106999735
N'-(4,6-dimethoxypyrimidin-2-yl)-N-methyl-N'-propylethane-1,2-diamine
CID 115355574
N-[2-(2-chloroethoxy)ethyl]-4,6-dimethoxy-N-methylpyrimidin-2-amine
CID 114242641
3-[(4,6-dimethoxypyrimidin-2-yl)-ethylamino]-N'-hydroxy-2-methylpropanimidamide
CID 115354893
N-butyl-N-ethyl-4-methoxypyrimidin-2-amine
CID 78818754
N'-(4,6-dimethoxypyrimidin-2-yl)-N'-methylethane-1,2-diamine
CID 115355307
N'-(4,6-dimethoxypyrimidin-2-yl)-N-ethyl-N'-methylethane-1,2-diamine
CID 115355568
N-(3-chloropropyl)-N-cyclobutyl-4-methoxy-6-methylpyrimidin-2-amine
CID 102871414

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-ethyl-4,6-dimethoxypyrimidin-2-amine?
The IUPAC name of N-(2-chloroethyl)-N-ethyl-4,6-dimethoxypyrimidin-2-amine (CID 115355694) is N-(2-chloroethyl)-N-ethyl-4,6-dimethoxypyrimidin-2-amine.
What is the SMILES notation for N-(2-chloroethyl)-N-ethyl-4,6-dimethoxypyrimidin-2-amine?
The canonical SMILES for N-(2-chloroethyl)-N-ethyl-4,6-dimethoxypyrimidin-2-amine is CCN(CCCl)c1nc(OC)cc(OC)n1.
What is the InChIKey of N-(2-chloroethyl)-N-ethyl-4,6-dimethoxypyrimidin-2-amine?
The InChIKey is BUPGIYWXGVRZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O2/c1-4-14(6-5-11)10-12-8(15-2)7-9(13-10)16-3/h7H,4-6H2,1-3H3.
What are the key properties of N-(2-chloroethyl)-N-ethyl-4,6-dimethoxypyrimidin-2-amine?
N-(2-chloroethyl)-N-ethyl-4,6-dimethoxypyrimidin-2-amine has a molecular weight of 245.71 g/mol, XLogP of 1.56, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-ethyl-4,6-dimethoxypyrimidin-2-amine is sourced from PubChem (CID 115355694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).