6-[tert-butyl(methyl)amino]pyrimidine-4-carbonitrile

C10H14N4 — CID 115142786

IUPAC6-[tert-butyl(methyl)amino]pyrimidine-4-carbonitrile
SMILESCN(c1cc(C#N)ncn1)C(C)(C)C
InChIInChI=1S/C10H14N4/c1-10(2,3)14(4)9-5-8(6-11)12-7-13-9/h5,7H,1-4H3
InChIKeyXUPFXUONNLCUOQ-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.58
Rot. Bonds1

About 6-[tert-butyl(methyl)amino]pyrimidine-4-carbonitrile

6-[tert-butyl(methyl)amino]pyrimidine-4-carbonitrile (PubChem CID 115142786) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is 6-[tert-butyl(methyl)amino]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-[tert-butyl(methyl)amino]pyrimidine-4-carbonitrile
PubChem CID115142786
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC Name6-[tert-butyl(methyl)amino]pyrimidine-4-carbonitrile
SMILESCN(c1cc(C#N)ncn1)C(C)(C)C
InChIInChI=1S/C10H14N4/c1-10(2,3)14(4)9-5-8(6-11)12-7-13-9/h5,7H,1-4H3
InChIKeyXUPFXUONNLCUOQ-UHFFFAOYSA-N
XLogP1.58
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-hydroxyethyl(methyl)amino]pyrimidine-4-carbonitrile
CID 130173820
6-[1-hydroxypropan-2-yl(methyl)amino]pyrimidine-4-carbonitrile
CID 130173875
6-(3-methoxy-N-methylanilino)pyrimidine-4-carbonitrile
CID 115142866
6-[ethyl(propan-2-yl)amino]pyrimidine-4-carbonitrile
CID 130173843
6-[methyl-[(4-methylphenyl)methyl]amino]pyrimidine-4-carbonitrile
CID 115142979
6-(2-methoxy-N-methylanilino)pyrimidine-4-carbonitrile
CID 115142865
6-methylpyrimidine-4-carbonitrile
CID 12684335
6-[(2-methylpropan-2-yl)oxy]pyrimidine-4-carbonitrile
CID 126980977
6-[methyl-(1-methylpyrrolidin-3-yl)amino]pyrimidine-4-carbonitrile
CID 115142881
6-[(4-methoxyphenyl)methyl-methylamino]pyrimidine-4-carbonitrile
CID 115142987
6-[(2,5-difluorophenyl)methyl-methylamino]pyrimidine-4-carbonitrile
CID 115143001
6-[(2-fluorophenyl)methyl-methylamino]pyrimidine-4-carbonitrile
CID 115143016

Frequently Asked Questions

What is the IUPAC name of 6-[tert-butyl(methyl)amino]pyrimidine-4-carbonitrile?
The IUPAC name of 6-[tert-butyl(methyl)amino]pyrimidine-4-carbonitrile (CID 115142786) is 6-[tert-butyl(methyl)amino]pyrimidine-4-carbonitrile.
What is the SMILES notation for 6-[tert-butyl(methyl)amino]pyrimidine-4-carbonitrile?
The canonical SMILES for 6-[tert-butyl(methyl)amino]pyrimidine-4-carbonitrile is CN(c1cc(C#N)ncn1)C(C)(C)C.
What is the InChIKey of 6-[tert-butyl(methyl)amino]pyrimidine-4-carbonitrile?
The InChIKey is XUPFXUONNLCUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4/c1-10(2,3)14(4)9-5-8(6-11)12-7-13-9/h5,7H,1-4H3.
What are the key properties of 6-[tert-butyl(methyl)amino]pyrimidine-4-carbonitrile?
6-[tert-butyl(methyl)amino]pyrimidine-4-carbonitrile has a molecular weight of 190.25 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[tert-butyl(methyl)amino]pyrimidine-4-carbonitrile is sourced from PubChem (CID 115142786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).