4-(2,2-dimethylpropylamino)pyrimidine-2-carbonitrile

C10H14N4 — CID 130587444

IUPAC4-(2,2-dimethylpropylamino)pyrimidine-2-carbonitrile
SMILESCC(C)(C)CNc1ccnc(C#N)n1
InChIInChI=1S/C10H14N4/c1-10(2,3)7-13-8-4-5-12-9(6-11)14-8/h4-5H,7H2,1-3H3,(H,12,13,14)
InChIKeyUQYWBIPBIHLNIQ-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.81
Rot. Bonds2

About 4-(2,2-dimethylpropylamino)pyrimidine-2-carbonitrile

4-(2,2-dimethylpropylamino)pyrimidine-2-carbonitrile (PubChem CID 130587444) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is 4-(2,2-dimethylpropylamino)pyrimidine-2-carbonitrile.

Molecular Properties

Compound Name4-(2,2-dimethylpropylamino)pyrimidine-2-carbonitrile
PubChem CID130587444
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC Name4-(2,2-dimethylpropylamino)pyrimidine-2-carbonitrile
SMILESCC(C)(C)CNc1ccnc(C#N)n1
InChIInChI=1S/C10H14N4/c1-10(2,3)7-13-8-4-5-12-9(6-11)14-8/h4-5H,7H2,1-3H3,(H,12,13,14)
InChIKeyUQYWBIPBIHLNIQ-UHFFFAOYSA-N
XLogP1.81
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-aminopropylamino)pyrimidine-2-carbonitrile
CID 130587580
tert-butyl N-(2-cyanopyrimidin-4-yl)-N-methylcarbamate
CID 23625857
methyl 2-[2-[(2-cyanopyrimidin-4-yl)amino]ethyl]-5-methyl-1,3-thiazole-4-carboxylate
CID 136572846
methyl 2-[(2-cyanopyrimidin-4-yl)-(2,2-dimethylpropyl)amino]acetate
CID 70327195
2-[(2-amino-2-methylpropyl)amino]pyridine-4-carbonitrile
CID 115303626
N-(2,2-dimethylbutyl)-2-methylpyrimidin-4-amine
CID 103462611
2-N-(2,2-dimethylpropyl)-4-N-[3-(1H-imidazol-5-yl)propyl]pyrimidine-2,4-diamine
CID 155534519
4-[[(3R)-pyrrolidin-3-yl]amino]pyrimidine-2-carbonitrile
CID 152510354
4-[1-(2,4-difluorophenyl)ethylamino]pyrimidine-2-carbonitrile
CID 91320280
4-(2,2-dimethylpropylamino)-5-(3-pyridin-3-yloxyprop-1-ynyl)pyrimidine-2-carbonitrile
CID 10471316
4-(4-ethylphenyl)pyrimidine-2-carbonitrile
CID 116900792
N'-(2-cyanopyrimidin-4-yl)-N'-(2,2-dimethylpropyl)-4-fluorobenzohydrazide
CID 11587914

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropylamino)pyrimidine-2-carbonitrile?
The IUPAC name of 4-(2,2-dimethylpropylamino)pyrimidine-2-carbonitrile (CID 130587444) is 4-(2,2-dimethylpropylamino)pyrimidine-2-carbonitrile.
What is the SMILES notation for 4-(2,2-dimethylpropylamino)pyrimidine-2-carbonitrile?
The canonical SMILES for 4-(2,2-dimethylpropylamino)pyrimidine-2-carbonitrile is CC(C)(C)CNc1ccnc(C#N)n1.
What is the InChIKey of 4-(2,2-dimethylpropylamino)pyrimidine-2-carbonitrile?
The InChIKey is UQYWBIPBIHLNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4/c1-10(2,3)7-13-8-4-5-12-9(6-11)14-8/h4-5H,7H2,1-3H3,(H,12,13,14).
What are the key properties of 4-(2,2-dimethylpropylamino)pyrimidine-2-carbonitrile?
4-(2,2-dimethylpropylamino)pyrimidine-2-carbonitrile has a molecular weight of 190.25 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropylamino)pyrimidine-2-carbonitrile is sourced from PubChem (CID 130587444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).