2-[[(2S)-4-methoxy-4-methylpentan-2-yl]amino]-6-methylpyrimidine-4-carbonitrile

C13H20N4O — CID 164633088

IUPAC2-[[(2S)-4-methoxy-4-methylpentan-2-yl]amino]-6-methylpyrimidine-4-carbonitrile
SMILESCOC(C)(C)C[C@H](C)Nc1nc(C)cc(C#N)n1
InChIInChI=1S/C13H20N4O/c1-9-6-11(8-14)17-12(15-9)16-10(2)7-13(3,4)18-5/h6,10H,7H2,1-5H3,(H,15,16,17)/t10-/m0/s1
InChIKeyNLPNYEDWQOJCGY-JTQLQIEISA-N
MW248.33 g/mol
LogP2.27
Rot. Bonds5

About 2-[[(2S)-4-methoxy-4-methylpentan-2-yl]amino]-6-methylpyrimidine-4-carbonitrile

2-[[(2S)-4-methoxy-4-methylpentan-2-yl]amino]-6-methylpyrimidine-4-carbonitrile (PubChem CID 164633088) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-[[(2S)-4-methoxy-4-methylpentan-2-yl]amino]-6-methylpyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-[[(2S)-4-methoxy-4-methylpentan-2-yl]amino]-6-methylpyrimidine-4-carbonitrile
PubChem CID164633088
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name2-[[(2S)-4-methoxy-4-methylpentan-2-yl]amino]-6-methylpyrimidine-4-carbonitrile
SMILESCOC(C)(C)C[C@H](C)Nc1nc(C)cc(C#N)n1
InChIInChI=1S/C13H20N4O/c1-9-6-11(8-14)17-12(15-9)16-10(2)7-13(3,4)18-5/h6,10H,7H2,1-5H3,(H,15,16,17)/t10-/m0/s1
InChIKeyNLPNYEDWQOJCGY-JTQLQIEISA-N
XLogP2.27
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-4-methoxy-4-methylpentan-2-yl]amino]-6-methylpyrimidine-4-carbonitrile?
The IUPAC name of 2-[[(2S)-4-methoxy-4-methylpentan-2-yl]amino]-6-methylpyrimidine-4-carbonitrile (CID 164633088) is 2-[[(2S)-4-methoxy-4-methylpentan-2-yl]amino]-6-methylpyrimidine-4-carbonitrile.
What is the SMILES notation for 2-[[(2S)-4-methoxy-4-methylpentan-2-yl]amino]-6-methylpyrimidine-4-carbonitrile?
The canonical SMILES for 2-[[(2S)-4-methoxy-4-methylpentan-2-yl]amino]-6-methylpyrimidine-4-carbonitrile is COC(C)(C)C[C@H](C)Nc1nc(C)cc(C#N)n1.
What is the InChIKey of 2-[[(2S)-4-methoxy-4-methylpentan-2-yl]amino]-6-methylpyrimidine-4-carbonitrile?
The InChIKey is NLPNYEDWQOJCGY-JTQLQIEISA-N. The full InChI is InChI=1S/C13H20N4O/c1-9-6-11(8-14)17-12(15-9)16-10(2)7-13(3,4)18-5/h6,10H,7H2,1-5H3,(H,15,16,17)/t10-/m0/s1.
What are the key properties of 2-[[(2S)-4-methoxy-4-methylpentan-2-yl]amino]-6-methylpyrimidine-4-carbonitrile?
2-[[(2S)-4-methoxy-4-methylpentan-2-yl]amino]-6-methylpyrimidine-4-carbonitrile has a molecular weight of 248.33 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-4-methoxy-4-methylpentan-2-yl]amino]-6-methylpyrimidine-4-carbonitrile is sourced from PubChem (CID 164633088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).