2-[(1-methoxy-2-methylpropan-2-yl)amino]pyrimidine-4-carbonitrile

C10H14N4O — CID 107545203

IUPAC2-[(1-methoxy-2-methylpropan-2-yl)amino]pyrimidine-4-carbonitrile
SMILESCOCC(C)(C)Nc1nccc(C#N)n1
InChIInChI=1S/C10H14N4O/c1-10(2,7-15-3)14-9-12-5-4-8(6-11)13-9/h4-5H,7H2,1-3H3,(H,12,13,14)
InChIKeyIPNDXTJOTAPCKX-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.19
Rot. Bonds4

About 2-[(1-methoxy-2-methylpropan-2-yl)amino]pyrimidine-4-carbonitrile

2-[(1-methoxy-2-methylpropan-2-yl)amino]pyrimidine-4-carbonitrile (PubChem CID 107545203) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 2-[(1-methoxy-2-methylpropan-2-yl)amino]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-[(1-methoxy-2-methylpropan-2-yl)amino]pyrimidine-4-carbonitrile
PubChem CID107545203
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name2-[(1-methoxy-2-methylpropan-2-yl)amino]pyrimidine-4-carbonitrile
SMILESCOCC(C)(C)Nc1nccc(C#N)n1
InChIInChI=1S/C10H14N4O/c1-10(2,7-15-3)14-9-12-5-4-8(6-11)13-9/h4-5H,7H2,1-3H3,(H,12,13,14)
InChIKeyIPNDXTJOTAPCKX-UHFFFAOYSA-N
XLogP1.19
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methylpentan-2-ylamino)pyrimidine-4-carbonitrile
CID 107545205
2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]pyrimidine-4-carbonitrile
CID 106185915
2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]pyrimidine-4-carbonitrile
CID 106254224
2-(3-methylbutylamino)pyrimidine-4-carbonitrile
CID 107543385
2-[(4-cyanopyrimidin-2-yl)amino]oxyacetic acid
CID 107543189
2-(pentan-3-ylamino)pyrimidine-4-carbonitrile
CID 107543275
2-[(2-hydroxy-4,4-dimethylpentyl)amino]pyrimidine-4-carbonitrile
CID 107552093
2-(4-hydroxypentan-2-ylamino)pyrimidine-4-carbonitrile
CID 107545092
2-[[2-methyl-3-(methylamino)propyl]amino]pyrimidine-4-carbonitrile
CID 107552672
4-[(4-cyanopyrimidin-2-yl)amino]-3-methoxybutanoic acid
CID 107543201
2-[(1-methylcyclopentyl)methylamino]pyrimidine-4-carbonitrile
CID 107544542
2-[2-(2-hydroxyethoxy)ethylamino]pyrimidine-4-carbonitrile
CID 107544340

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methoxy-2-methylpropan-2-yl)amino]pyrimidine-4-carbonitrile?
The IUPAC name of 2-[(1-methoxy-2-methylpropan-2-yl)amino]pyrimidine-4-carbonitrile (CID 107545203) is 2-[(1-methoxy-2-methylpropan-2-yl)amino]pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-[(1-methoxy-2-methylpropan-2-yl)amino]pyrimidine-4-carbonitrile?
The canonical SMILES for 2-[(1-methoxy-2-methylpropan-2-yl)amino]pyrimidine-4-carbonitrile is COCC(C)(C)Nc1nccc(C#N)n1.
What is the InChIKey of 2-[(1-methoxy-2-methylpropan-2-yl)amino]pyrimidine-4-carbonitrile?
The InChIKey is IPNDXTJOTAPCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-10(2,7-15-3)14-9-12-5-4-8(6-11)13-9/h4-5H,7H2,1-3H3,(H,12,13,14).
What are the key properties of 2-[(1-methoxy-2-methylpropan-2-yl)amino]pyrimidine-4-carbonitrile?
2-[(1-methoxy-2-methylpropan-2-yl)amino]pyrimidine-4-carbonitrile has a molecular weight of 206.25 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methoxy-2-methylpropan-2-yl)amino]pyrimidine-4-carbonitrile is sourced from PubChem (CID 107545203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).