2-[2-(cyclohexylmethylamino)-5-methylpyrimidin-4-yl]acetonitrile;pyridine

C19H25N5 — CID 68695606

IUPAC2-[2-(cyclohexylmethylamino)-5-methylpyrimidin-4-yl]acetonitrile;pyridine
SMILESCc1cnc(NCC2CCCCC2)nc1CC#N.c1ccncc1
InChIInChI=1S/C14H20N4.C5H5N/c1-11-9-16-14(18-13(11)7-8-15)17-10-12-5-3-2-4-6-12;1-2-4-6-5-3-1/h9,12H,2-7,10H2,1H3,(H,16,17,18);1-5H
InChIKeyXMRDJKPPUGTICC-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.92
Rot. Bonds4

About 2-[2-(cyclohexylmethylamino)-5-methylpyrimidin-4-yl]acetonitrile;pyridine

2-[2-(cyclohexylmethylamino)-5-methylpyrimidin-4-yl]acetonitrile;pyridine (PubChem CID 68695606) has the molecular formula C19H25N5 and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-[2-(cyclohexylmethylamino)-5-methylpyrimidin-4-yl]acetonitrile;pyridine.

Molecular Properties

Compound Name2-[2-(cyclohexylmethylamino)-5-methylpyrimidin-4-yl]acetonitrile;pyridine
PubChem CID68695606
Molecular FormulaC19H25N5
Molecular Weight323.44 g/mol
Exact Mass323.21
IUPAC Name2-[2-(cyclohexylmethylamino)-5-methylpyrimidin-4-yl]acetonitrile;pyridine
SMILESCc1cnc(NCC2CCCCC2)nc1CC#N.c1ccncc1
InChIInChI=1S/C14H20N4.C5H5N/c1-11-9-16-14(18-13(11)7-8-15)17-10-12-5-3-2-4-6-12;1-2-4-6-5-3-1/h9,12H,2-7,10H2,1H3,(H,16,17,18);1-5H
InChIKeyXMRDJKPPUGTICC-UHFFFAOYSA-N
XLogP3.92
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclohexylmethylamino)-5-methylpyrimidin-4-yl]acetonitrile;pyridine?
The IUPAC name of 2-[2-(cyclohexylmethylamino)-5-methylpyrimidin-4-yl]acetonitrile;pyridine (CID 68695606) is 2-[2-(cyclohexylmethylamino)-5-methylpyrimidin-4-yl]acetonitrile;pyridine.
What is the SMILES notation for 2-[2-(cyclohexylmethylamino)-5-methylpyrimidin-4-yl]acetonitrile;pyridine?
The canonical SMILES for 2-[2-(cyclohexylmethylamino)-5-methylpyrimidin-4-yl]acetonitrile;pyridine is Cc1cnc(NCC2CCCCC2)nc1CC#N.c1ccncc1.
What is the InChIKey of 2-[2-(cyclohexylmethylamino)-5-methylpyrimidin-4-yl]acetonitrile;pyridine?
The InChIKey is XMRDJKPPUGTICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4.C5H5N/c1-11-9-16-14(18-13(11)7-8-15)17-10-12-5-3-2-4-6-12;1-2-4-6-5-3-1/h9,12H,2-7,10H2,1H3,(H,16,17,18);1-5H.
What are the key properties of 2-[2-(cyclohexylmethylamino)-5-methylpyrimidin-4-yl]acetonitrile;pyridine?
2-[2-(cyclohexylmethylamino)-5-methylpyrimidin-4-yl]acetonitrile;pyridine has a molecular weight of 323.44 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclohexylmethylamino)-5-methylpyrimidin-4-yl]acetonitrile;pyridine is sourced from PubChem (CID 68695606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).