4,6-dichloro-N-ethyl-N-(1H-imidazol-5-ylmethyl)pyrimidin-2-amine

C10H11Cl2N5 — CID 24945908

IUPAC4,6-dichloro-N-ethyl-N-(1H-imidazol-5-ylmethyl)pyrimidin-2-amine
SMILESCCN(Cc1cnc[nH]1)c1nc(Cl)cc(Cl)n1
InChIInChI=1S/C10H11Cl2N5/c1-2-17(5-7-4-13-6-14-7)10-15-8(11)3-9(12)16-10/h3-4,6H,2,5H2,1H3,(H,13,14)
InChIKeyZKGGYYMFOIEKTN-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.53
Rot. Bonds4

About 4,6-dichloro-N-ethyl-N-(1H-imidazol-5-ylmethyl)pyrimidin-2-amine

4,6-dichloro-N-ethyl-N-(1H-imidazol-5-ylmethyl)pyrimidin-2-amine (PubChem CID 24945908) has the molecular formula C10H11Cl2N5 and a molecular weight of 272.14 g/mol. Its IUPAC name is 4,6-dichloro-N-ethyl-N-(1H-imidazol-5-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N-ethyl-N-(1H-imidazol-5-ylmethyl)pyrimidin-2-amine
PubChem CID24945908
Molecular FormulaC10H11Cl2N5
Molecular Weight272.14 g/mol
Exact Mass271.04
IUPAC Name4,6-dichloro-N-ethyl-N-(1H-imidazol-5-ylmethyl)pyrimidin-2-amine
SMILESCCN(Cc1cnc[nH]1)c1nc(Cl)cc(Cl)n1
InChIInChI=1S/C10H11Cl2N5/c1-2-17(5-7-4-13-6-14-7)10-15-8(11)3-9(12)16-10/h3-4,6H,2,5H2,1H3,(H,13,14)
InChIKeyZKGGYYMFOIEKTN-UHFFFAOYSA-N
XLogP2.53
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-ethyl-N-(1H-imidazol-5-ylmethyl)pyrimidin-2-amine?
The IUPAC name of 4,6-dichloro-N-ethyl-N-(1H-imidazol-5-ylmethyl)pyrimidin-2-amine (CID 24945908) is 4,6-dichloro-N-ethyl-N-(1H-imidazol-5-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 4,6-dichloro-N-ethyl-N-(1H-imidazol-5-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for 4,6-dichloro-N-ethyl-N-(1H-imidazol-5-ylmethyl)pyrimidin-2-amine is CCN(Cc1cnc[nH]1)c1nc(Cl)cc(Cl)n1.
What is the InChIKey of 4,6-dichloro-N-ethyl-N-(1H-imidazol-5-ylmethyl)pyrimidin-2-amine?
The InChIKey is ZKGGYYMFOIEKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2N5/c1-2-17(5-7-4-13-6-14-7)10-15-8(11)3-9(12)16-10/h3-4,6H,2,5H2,1H3,(H,13,14).
What are the key properties of 4,6-dichloro-N-ethyl-N-(1H-imidazol-5-ylmethyl)pyrimidin-2-amine?
4,6-dichloro-N-ethyl-N-(1H-imidazol-5-ylmethyl)pyrimidin-2-amine has a molecular weight of 272.14 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-ethyl-N-(1H-imidazol-5-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 24945908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).