5-[[6-[cyclohexylmethyl(methyl)amino]pyrimidin-4-yl]amino]pyrazine-2-carbonitrile

C17H21N7 — CID 153263770

IUPAC5-[[6-[cyclohexylmethyl(methyl)amino]pyrimidin-4-yl]amino]pyrazine-2-carbonitrile
SMILESCN(CC1CCCCC1)c1cc(Nc2cnc(C#N)cn2)ncn1
InChIInChI=1S/C17H21N7/c1-24(11-13-5-3-2-4-6-13)17-7-15(21-12-22-17)23-16-10-19-14(8-18)9-20-16/h7,9-10,12-13H,2-6,11H2,1H3,(H,20,21,22,23)
InChIKeyWVTJYFANQOZBCN-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.90
Rot. Bonds5

About 5-[[6-[cyclohexylmethyl(methyl)amino]pyrimidin-4-yl]amino]pyrazine-2-carbonitrile

5-[[6-[cyclohexylmethyl(methyl)amino]pyrimidin-4-yl]amino]pyrazine-2-carbonitrile (PubChem CID 153263770) has the molecular formula C17H21N7 and a molecular weight of 323.40 g/mol. Its IUPAC name is 5-[[6-[cyclohexylmethyl(methyl)amino]pyrimidin-4-yl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[6-[cyclohexylmethyl(methyl)amino]pyrimidin-4-yl]amino]pyrazine-2-carbonitrile
PubChem CID153263770
Molecular FormulaC17H21N7
Molecular Weight323.40 g/mol
Exact Mass323.19
IUPAC Name5-[[6-[cyclohexylmethyl(methyl)amino]pyrimidin-4-yl]amino]pyrazine-2-carbonitrile
SMILESCN(CC1CCCCC1)c1cc(Nc2cnc(C#N)cn2)ncn1
InChIInChI=1S/C17H21N7/c1-24(11-13-5-3-2-4-6-13)17-7-15(21-12-22-17)23-16-10-19-14(8-18)9-20-16/h7,9-10,12-13H,2-6,11H2,1H3,(H,20,21,22,23)
InChIKeyWVTJYFANQOZBCN-UHFFFAOYSA-N
XLogP2.90
TPSA90.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[6-[cyclopentylmethyl(methyl)amino]pyrimidin-4-yl]amino]acetonitrile
CID 115264894
4-N-(cyclobutylmethyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80825254
[6-[methyl(oxan-4-ylmethyl)amino]pyrimidin-4-yl]cyanamide
CID 115264692
5-[[5-(cyclohexylmethylamino)-6-methylpyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 167633129
4-[6-[(5-cyanopyrazin-2-yl)amino]-4-(cyclohexylmethylamino)-3-pyridinyl]-N,N-dimethylbenzenesulfonamide
CID 159387139
4-N-(cyclopropylmethyl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80796879
5-[[6-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]pyrimidin-4-yl]amino]pyrazine-2-carbonitrile
CID 66745692
5-[[4-(cyclohexylmethylamino)-5-[4-(2-hydroxyethoxy)phenyl]-2-pyridinyl]amino]pyrazine-2-carbonitrile
CID 147488652
6-chloro-N-(cyclobutylmethyl)-N-methylpyrimidin-4-amine
CID 62856781
5-[[6-(1,3-dihydroxypropan-2-ylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile
CID 42610779
N,N-dimethyl-4-[[6-[methyl(piperidin-4-ylmethyl)amino]pyrimidin-4-yl]amino]benzenesulfonamide
CID 174704766
2-N-(cyclohexylmethyl)-2-N,4-dimethylpyridine-2,5-diamine
CID 79174152

Frequently Asked Questions

What is the IUPAC name of 5-[[6-[cyclohexylmethyl(methyl)amino]pyrimidin-4-yl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[6-[cyclohexylmethyl(methyl)amino]pyrimidin-4-yl]amino]pyrazine-2-carbonitrile (CID 153263770) is 5-[[6-[cyclohexylmethyl(methyl)amino]pyrimidin-4-yl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[6-[cyclohexylmethyl(methyl)amino]pyrimidin-4-yl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[6-[cyclohexylmethyl(methyl)amino]pyrimidin-4-yl]amino]pyrazine-2-carbonitrile is CN(CC1CCCCC1)c1cc(Nc2cnc(C#N)cn2)ncn1.
What is the InChIKey of 5-[[6-[cyclohexylmethyl(methyl)amino]pyrimidin-4-yl]amino]pyrazine-2-carbonitrile?
The InChIKey is WVTJYFANQOZBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7/c1-24(11-13-5-3-2-4-6-13)17-7-15(21-12-22-17)23-16-10-19-14(8-18)9-20-16/h7,9-10,12-13H,2-6,11H2,1H3,(H,20,21,22,23).
What are the key properties of 5-[[6-[cyclohexylmethyl(methyl)amino]pyrimidin-4-yl]amino]pyrazine-2-carbonitrile?
5-[[6-[cyclohexylmethyl(methyl)amino]pyrimidin-4-yl]amino]pyrazine-2-carbonitrile has a molecular weight of 323.40 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-[cyclohexylmethyl(methyl)amino]pyrimidin-4-yl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 153263770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).