4-chloro-2-(cyclopropylamino)-6-(5-methoxy-3-pyridinyl)pyrimidine-5-carbonitrile

C14H12ClN5O — CID 86617267

IUPAC4-chloro-2-(cyclopropylamino)-6-(5-methoxy-3-pyridinyl)pyrimidine-5-carbonitrile
SMILESCOc1cncc(-c2nc(NC3CC3)nc(Cl)c2C#N)c1
InChIInChI=1S/C14H12ClN5O/c1-21-10-4-8(6-17-7-10)12-11(5-16)13(15)20-14(19-12)18-9-2-3-9/h4,6-7,9H,2-3H2,1H3,(H,18,19,20)
InChIKeyMUWRVJODRQAZCY-UHFFFAOYSA-N
MW301.74 g/mol
LogP2.65
Rot. Bonds4

About 4-chloro-2-(cyclopropylamino)-6-(5-methoxy-3-pyridinyl)pyrimidine-5-carbonitrile

4-chloro-2-(cyclopropylamino)-6-(5-methoxy-3-pyridinyl)pyrimidine-5-carbonitrile (PubChem CID 86617267) has the molecular formula C14H12ClN5O and a molecular weight of 301.74 g/mol. Its IUPAC name is 4-chloro-2-(cyclopropylamino)-6-(5-methoxy-3-pyridinyl)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-chloro-2-(cyclopropylamino)-6-(5-methoxy-3-pyridinyl)pyrimidine-5-carbonitrile
PubChem CID86617267
Molecular FormulaC14H12ClN5O
Molecular Weight301.74 g/mol
Exact Mass301.07
IUPAC Name4-chloro-2-(cyclopropylamino)-6-(5-methoxy-3-pyridinyl)pyrimidine-5-carbonitrile
SMILESCOc1cncc(-c2nc(NC3CC3)nc(Cl)c2C#N)c1
InChIInChI=1S/C14H12ClN5O/c1-21-10-4-8(6-17-7-10)12-11(5-16)13(15)20-14(19-12)18-9-2-3-9/h4,6-7,9H,2-3H2,1H3,(H,18,19,20)
InChIKeyMUWRVJODRQAZCY-UHFFFAOYSA-N
XLogP2.65
TPSA83.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.74
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(cyclopropylamino)-6-(5-methoxy-3-pyridinyl)pyrimidine-5-carbonitrile?
The IUPAC name of 4-chloro-2-(cyclopropylamino)-6-(5-methoxy-3-pyridinyl)pyrimidine-5-carbonitrile (CID 86617267) is 4-chloro-2-(cyclopropylamino)-6-(5-methoxy-3-pyridinyl)pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-chloro-2-(cyclopropylamino)-6-(5-methoxy-3-pyridinyl)pyrimidine-5-carbonitrile?
The canonical SMILES for 4-chloro-2-(cyclopropylamino)-6-(5-methoxy-3-pyridinyl)pyrimidine-5-carbonitrile is COc1cncc(-c2nc(NC3CC3)nc(Cl)c2C#N)c1.
What is the InChIKey of 4-chloro-2-(cyclopropylamino)-6-(5-methoxy-3-pyridinyl)pyrimidine-5-carbonitrile?
The InChIKey is MUWRVJODRQAZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN5O/c1-21-10-4-8(6-17-7-10)12-11(5-16)13(15)20-14(19-12)18-9-2-3-9/h4,6-7,9H,2-3H2,1H3,(H,18,19,20).
What are the key properties of 4-chloro-2-(cyclopropylamino)-6-(5-methoxy-3-pyridinyl)pyrimidine-5-carbonitrile?
4-chloro-2-(cyclopropylamino)-6-(5-methoxy-3-pyridinyl)pyrimidine-5-carbonitrile has a molecular weight of 301.74 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(cyclopropylamino)-6-(5-methoxy-3-pyridinyl)pyrimidine-5-carbonitrile is sourced from PubChem (CID 86617267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).