2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-6-methylpyrimidine-4-carbonitrile

C14H23N5 — CID 107544009

IUPAC2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-6-methylpyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(NC(CC(C)C)CN(C)C)n1
InChIInChI=1S/C14H23N5/c1-10(2)6-13(9-19(4)5)18-14-16-11(3)7-12(8-15)17-14/h7,10,13H,6,9H2,1-5H3,(H,16,17,18)
InChIKeyDGNSDLMEOWWANI-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.04
Rot. Bonds6

About 2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-6-methylpyrimidine-4-carbonitrile

2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-6-methylpyrimidine-4-carbonitrile (PubChem CID 107544009) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-6-methylpyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-6-methylpyrimidine-4-carbonitrile
PubChem CID107544009
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-6-methylpyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(NC(CC(C)C)CN(C)C)n1
InChIInChI=1S/C14H23N5/c1-10(2)6-13(9-19(4)5)18-14-16-11(3)7-12(8-15)17-14/h7,10,13H,6,9H2,1-5H3,(H,16,17,18)
InChIKeyDGNSDLMEOWWANI-UHFFFAOYSA-N
XLogP2.04
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[(4-cyano-6-methylpyrimidin-2-yl)amino]-4-methylpentanoic acid
CID 122049258
1-N,1-N,4-trimethyl-2-N-(4-methyl-6-propoxypyrimidin-2-yl)pentane-1,2-diamine
CID 115974797
2-(hexan-3-ylamino)-6-methylpyrimidine-4-carbonitrile
CID 107544278
2-[2-(dimethylamino)ethylamino]-6-methylpyrimidine-4-carbonitrile
CID 110383441
2-[(2-hydroxy-1-phenylethyl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107552024
3-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pyrazine-2-carbonitrile
CID 62673246
6-methyl-2-(2-methylbutan-2-ylamino)pyrimidine-4-carbonitrile
CID 107543261
6-methyl-2-[1-(4-methylphenoxy)propan-2-ylamino]pyrimidine-4-carbonitrile
CID 107551984
2-N-[1-(dimethylamino)-4-methylpentan-2-yl]-1,3,5-triazine-2,4-diamine
CID 112746105
4-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-2-fluorobenzonitrile
CID 115367304
2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-5-nitropyridine-3-carbonitrile
CID 62099704
4-chloro-2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-1,3-thiazole-5-carbonitrile
CID 106595407

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-6-methylpyrimidine-4-carbonitrile?
The IUPAC name of 2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-6-methylpyrimidine-4-carbonitrile (CID 107544009) is 2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-6-methylpyrimidine-4-carbonitrile.
What is the SMILES notation for 2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-6-methylpyrimidine-4-carbonitrile?
The canonical SMILES for 2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-6-methylpyrimidine-4-carbonitrile is Cc1cc(C#N)nc(NC(CC(C)C)CN(C)C)n1.
What is the InChIKey of 2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-6-methylpyrimidine-4-carbonitrile?
The InChIKey is DGNSDLMEOWWANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-10(2)6-13(9-19(4)5)18-14-16-11(3)7-12(8-15)17-14/h7,10,13H,6,9H2,1-5H3,(H,16,17,18).
What are the key properties of 2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-6-methylpyrimidine-4-carbonitrile?
2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-6-methylpyrimidine-4-carbonitrile has a molecular weight of 261.37 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-6-methylpyrimidine-4-carbonitrile is sourced from PubChem (CID 107544009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).