N'-(4,6-dichloro-5-propan-2-ylpyrimidin-2-yl)-N,N-dimethylmethanimidamide

C10H14Cl2N4 — CID 72679415

IUPACN'-(4,6-dichloro-5-propan-2-ylpyrimidin-2-yl)-N,N-dimethylmethanimidamide
SMILESCC(C)c1c(Cl)nc(N=CN(C)C)nc1Cl
InChIInChI=1S/C10H14Cl2N4/c1-6(2)7-8(11)14-10(15-9(7)12)13-5-16(3)4/h5-6H,1-4H3
InChIKeyBGYBIPOXDCTOQU-UHFFFAOYSA-N
MW261.16 g/mol
LogP3.13
Rot. Bonds3

About N'-(4,6-dichloro-5-propan-2-ylpyrimidin-2-yl)-N,N-dimethylmethanimidamide

N'-(4,6-dichloro-5-propan-2-ylpyrimidin-2-yl)-N,N-dimethylmethanimidamide (PubChem CID 72679415) has the molecular formula C10H14Cl2N4 and a molecular weight of 261.16 g/mol. Its IUPAC name is N'-(4,6-dichloro-5-propan-2-ylpyrimidin-2-yl)-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-(4,6-dichloro-5-propan-2-ylpyrimidin-2-yl)-N,N-dimethylmethanimidamide
PubChem CID72679415
Molecular FormulaC10H14Cl2N4
Molecular Weight261.16 g/mol
Exact Mass260.06
IUPAC NameN'-(4,6-dichloro-5-propan-2-ylpyrimidin-2-yl)-N,N-dimethylmethanimidamide
SMILESCC(C)c1c(Cl)nc(N=CN(C)C)nc1Cl
InChIInChI=1S/C10H14Cl2N4/c1-6(2)7-8(11)14-10(15-9(7)12)13-5-16(3)4/h5-6H,1-4H3
InChIKeyBGYBIPOXDCTOQU-UHFFFAOYSA-N
XLogP3.13
TPSA41.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.16
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(4,6-dichloro-5-propan-2-ylpyrimidin-2-yl)-N,N-dimethylmethanimidamide?
The IUPAC name of N'-(4,6-dichloro-5-propan-2-ylpyrimidin-2-yl)-N,N-dimethylmethanimidamide (CID 72679415) is N'-(4,6-dichloro-5-propan-2-ylpyrimidin-2-yl)-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-(4,6-dichloro-5-propan-2-ylpyrimidin-2-yl)-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-(4,6-dichloro-5-propan-2-ylpyrimidin-2-yl)-N,N-dimethylmethanimidamide is CC(C)c1c(Cl)nc(N=CN(C)C)nc1Cl.
What is the InChIKey of N'-(4,6-dichloro-5-propan-2-ylpyrimidin-2-yl)-N,N-dimethylmethanimidamide?
The InChIKey is BGYBIPOXDCTOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N4/c1-6(2)7-8(11)14-10(15-9(7)12)13-5-16(3)4/h5-6H,1-4H3.
What are the key properties of N'-(4,6-dichloro-5-propan-2-ylpyrimidin-2-yl)-N,N-dimethylmethanimidamide?
N'-(4,6-dichloro-5-propan-2-ylpyrimidin-2-yl)-N,N-dimethylmethanimidamide has a molecular weight of 261.16 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,6-dichloro-5-propan-2-ylpyrimidin-2-yl)-N,N-dimethylmethanimidamide is sourced from PubChem (CID 72679415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).