6-chloro-2-ethyl-N-(2-methanimidoyl-3-methyliminopropyl)pyrimidin-4-amine

C11H16ClN5 — CID 123405346

IUPAC6-chloro-2-ethyl-N-(2-methanimidoyl-3-methyliminopropyl)pyrimidin-4-amine
SMILES[H]/N=C/C(/C=N/C)CNc1cc(Cl)nc(CC)n1
InChIInChI=1S/C11H16ClN5/c1-3-10-16-9(12)4-11(17-10)15-7-8(5-13)6-14-2/h4-6,8,13H,3,7H2,1-2H3,(H,15,16,17)/b13-5+,14-6+
InChIKeyISTVMUIDHBYKTB-ACFHMISVSA-N
MW253.74 g/mol
LogP2.07
Rot. Bonds6

About 6-chloro-2-ethyl-N-(2-methanimidoyl-3-methyliminopropyl)pyrimidin-4-amine

6-chloro-2-ethyl-N-(2-methanimidoyl-3-methyliminopropyl)pyrimidin-4-amine (PubChem CID 123405346) has the molecular formula C11H16ClN5 and a molecular weight of 253.74 g/mol. Its IUPAC name is 6-chloro-2-ethyl-N-(2-methanimidoyl-3-methyliminopropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-ethyl-N-(2-methanimidoyl-3-methyliminopropyl)pyrimidin-4-amine
PubChem CID123405346
Molecular FormulaC11H16ClN5
Molecular Weight253.74 g/mol
Exact Mass253.11
IUPAC Name6-chloro-2-ethyl-N-(2-methanimidoyl-3-methyliminopropyl)pyrimidin-4-amine
SMILES[H]/N=C/C(/C=N/C)CNc1cc(Cl)nc(CC)n1
InChIInChI=1S/C11H16ClN5/c1-3-10-16-9(12)4-11(17-10)15-7-8(5-13)6-14-2/h4-6,8,13H,3,7H2,1-2H3,(H,15,16,17)/b13-5+,14-6+
InChIKeyISTVMUIDHBYKTB-ACFHMISVSA-N
XLogP2.07
TPSA74.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.74
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-N-(2-methanimidoyl-3-methyliminopropyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-ethyl-N-(2-methanimidoyl-3-methyliminopropyl)pyrimidin-4-amine (CID 123405346) is 6-chloro-2-ethyl-N-(2-methanimidoyl-3-methyliminopropyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-ethyl-N-(2-methanimidoyl-3-methyliminopropyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-ethyl-N-(2-methanimidoyl-3-methyliminopropyl)pyrimidin-4-amine is [H]/N=C/C(/C=N/C)CNc1cc(Cl)nc(CC)n1.
What is the InChIKey of 6-chloro-2-ethyl-N-(2-methanimidoyl-3-methyliminopropyl)pyrimidin-4-amine?
The InChIKey is ISTVMUIDHBYKTB-ACFHMISVSA-N. The full InChI is InChI=1S/C11H16ClN5/c1-3-10-16-9(12)4-11(17-10)15-7-8(5-13)6-14-2/h4-6,8,13H,3,7H2,1-2H3,(H,15,16,17)/b13-5+,14-6+.
What are the key properties of 6-chloro-2-ethyl-N-(2-methanimidoyl-3-methyliminopropyl)pyrimidin-4-amine?
6-chloro-2-ethyl-N-(2-methanimidoyl-3-methyliminopropyl)pyrimidin-4-amine has a molecular weight of 253.74 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethyl-N-(2-methanimidoyl-3-methyliminopropyl)pyrimidin-4-amine is sourced from PubChem (CID 123405346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).