4,6-dichloro-2-cyclopropylpyrimidine-5-carbonitrile

C8H5Cl2N3 — CID 122200579

IUPAC4,6-dichloro-2-cyclopropylpyrimidine-5-carbonitrile
SMILESN#Cc1c(Cl)nc(C2CC2)nc1Cl
InChIInChI=1S/C8H5Cl2N3/c9-6-5(3-11)7(10)13-8(12-6)4-1-2-4/h4H,1-2H2
InChIKeyCBSRCRWAZJQRFK-UHFFFAOYSA-N
MW214.05 g/mol
LogP2.53
Rot. Bonds1

About 4,6-dichloro-2-cyclopropylpyrimidine-5-carbonitrile

4,6-dichloro-2-cyclopropylpyrimidine-5-carbonitrile (PubChem CID 122200579) has the molecular formula C8H5Cl2N3 and a molecular weight of 214.05 g/mol. Its IUPAC name is 4,6-dichloro-2-cyclopropylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4,6-dichloro-2-cyclopropylpyrimidine-5-carbonitrile
PubChem CID122200579
Molecular FormulaC8H5Cl2N3
Molecular Weight214.05 g/mol
Exact Mass212.99
IUPAC Name4,6-dichloro-2-cyclopropylpyrimidine-5-carbonitrile
SMILESN#Cc1c(Cl)nc(C2CC2)nc1Cl
InChIInChI=1S/C8H5Cl2N3/c9-6-5(3-11)7(10)13-8(12-6)4-1-2-4/h4H,1-2H2
InChIKeyCBSRCRWAZJQRFK-UHFFFAOYSA-N
XLogP2.53
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.05
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-dichloro-2,5-dicyclopropylpyrimidine
CID 118990185
2,4,6-trichloropyridine-3,5-dicarbonitrile
CID 15206362
(4,6-dichloro-2-cyclopropylpyrimidin-5-yl)methanol
CID 46941488
4-chloro-2,6-dicyclopropylpyrimidin-5-amine
CID 88811496
4-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)oxybenzonitrile
CID 80974217
4,6-dichloro-2-cycloheptyl-5-cyclopentylpyrimidine
CID 115926469
3-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]propanenitrile
CID 80973034
4,6-dichloro-5-ethyl-2-(4-methylcyclohexyl)pyrimidine
CID 63612318
6-chloro-2-cyclopropyl-4-methylpyridine-3-carbonitrile
CID 163870027
6-chloro-8-cyclopropyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 86727215
2,6-dichloro-4-cyclopropylbenzonitrile
CID 167443793
5-bromo-4,6-dichloro-2-cyclohexylpyrimidine
CID 66317033

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-cyclopropylpyrimidine-5-carbonitrile?
The IUPAC name of 4,6-dichloro-2-cyclopropylpyrimidine-5-carbonitrile (CID 122200579) is 4,6-dichloro-2-cyclopropylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4,6-dichloro-2-cyclopropylpyrimidine-5-carbonitrile?
The canonical SMILES for 4,6-dichloro-2-cyclopropylpyrimidine-5-carbonitrile is N#Cc1c(Cl)nc(C2CC2)nc1Cl.
What is the InChIKey of 4,6-dichloro-2-cyclopropylpyrimidine-5-carbonitrile?
The InChIKey is CBSRCRWAZJQRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2N3/c9-6-5(3-11)7(10)13-8(12-6)4-1-2-4/h4H,1-2H2.
What are the key properties of 4,6-dichloro-2-cyclopropylpyrimidine-5-carbonitrile?
4,6-dichloro-2-cyclopropylpyrimidine-5-carbonitrile has a molecular weight of 214.05 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-cyclopropylpyrimidine-5-carbonitrile is sourced from PubChem (CID 122200579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).