3-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]pyridine-2-carbonitrile

C17H21N7 — CID 155981378

IUPAC3-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]pyridine-2-carbonitrile
SMILESCCNc1nc(C)cc(N2CCN(c3cccnc3C#N)CC2)n1
InChIInChI=1S/C17H21N7/c1-3-19-17-21-13(2)11-16(22-17)24-9-7-23(8-10-24)15-5-4-6-20-14(15)12-18/h4-6,11H,3,7-10H2,1-2H3,(H,19,21,22)
InChIKeyCDFGSFKEWOMPAH-UHFFFAOYSA-N
MW323.40 g/mol
LogP1.81
Rot. Bonds4

About 3-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]pyridine-2-carbonitrile

3-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]pyridine-2-carbonitrile (PubChem CID 155981378) has the molecular formula C17H21N7 and a molecular weight of 323.40 g/mol. Its IUPAC name is 3-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]pyridine-2-carbonitrile
PubChem CID155981378
Molecular FormulaC17H21N7
Molecular Weight323.40 g/mol
Exact Mass323.19
IUPAC Name3-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]pyridine-2-carbonitrile
SMILESCCNc1nc(C)cc(N2CCN(c3cccnc3C#N)CC2)n1
InChIInChI=1S/C17H21N7/c1-3-19-17-21-13(2)11-16(22-17)24-9-7-23(8-10-24)15-5-4-6-20-14(15)12-18/h4-6,11H,3,7-10H2,1-2H3,(H,19,21,22)
InChIKeyCDFGSFKEWOMPAH-UHFFFAOYSA-N
XLogP1.81
TPSA80.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]benzonitrile
CID 171327132
3-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]pyridine-2-carbonitrile
CID 155800265
N-ethyl-4-methyl-6-[4-(3-methylsulfonyl-2-pyridinyl)piperazin-1-yl]pyrimidin-2-amine
CID 155976090
4-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-2-fluorobenzonitrile
CID 171334594
N-ethyl-4-methyl-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine
CID 80756500
N-ethyl-4-methyl-6-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-2-amine
CID 146079790
[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 122351151
N-butyl-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112908336
N-ethyl-4-methyl-6-(4-pyridin-3-ylsulfonylpiperazin-1-yl)pyrimidin-2-amine
CID 56699594
4-methyl-N-(pyridin-2-ylmethyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112919280
[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 122351016
1-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperidin-4-ol
CID 80764678

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 3-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]pyridine-2-carbonitrile (CID 155981378) is 3-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]pyridine-2-carbonitrile is CCNc1nc(C)cc(N2CCN(c3cccnc3C#N)CC2)n1.
What is the InChIKey of 3-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]pyridine-2-carbonitrile?
The InChIKey is CDFGSFKEWOMPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7/c1-3-19-17-21-13(2)11-16(22-17)24-9-7-23(8-10-24)15-5-4-6-20-14(15)12-18/h4-6,11H,3,7-10H2,1-2H3,(H,19,21,22).
What are the key properties of 3-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]pyridine-2-carbonitrile?
3-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]pyridine-2-carbonitrile has a molecular weight of 323.40 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 155981378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).