2-(2-cyclopropylpropylamino)-6-methylpyrimidine-4-carbonitrile

C12H16N4 — CID 107545210

IUPAC2-(2-cyclopropylpropylamino)-6-methylpyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(NCC(C)C2CC2)n1
InChIInChI=1S/C12H16N4/c1-8(10-3-4-10)7-14-12-15-9(2)5-11(6-13)16-12/h5,8,10H,3-4,7H2,1-2H3,(H,14,15,16)
InChIKeyTUNJCXQJOFKBMC-UHFFFAOYSA-N
MW216.29 g/mol
LogP2.11
Rot. Bonds4

About 2-(2-cyclopropylpropylamino)-6-methylpyrimidine-4-carbonitrile

2-(2-cyclopropylpropylamino)-6-methylpyrimidine-4-carbonitrile (PubChem CID 107545210) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 2-(2-cyclopropylpropylamino)-6-methylpyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-(2-cyclopropylpropylamino)-6-methylpyrimidine-4-carbonitrile
PubChem CID107545210
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name2-(2-cyclopropylpropylamino)-6-methylpyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(NCC(C)C2CC2)n1
InChIInChI=1S/C12H16N4/c1-8(10-3-4-10)7-14-12-15-9(2)5-11(6-13)16-12/h5,8,10H,3-4,7H2,1-2H3,(H,14,15,16)
InChIKeyTUNJCXQJOFKBMC-UHFFFAOYSA-N
XLogP2.11
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-cyano-6-methylpyrimidin-2-yl)amino]-2-methoxypropanoic acid
CID 106108557
2-[2-(2-hydroxyethyl)pentylamino]-6-methylpyrimidine-4-carbonitrile
CID 106115688
2-[(4-cyano-6-methylpyrimidin-2-yl)amino]-N-(2-methylpropyl)acetamide
CID 107545107
2-[[(4-cyano-6-methylpyrimidin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 107543046
2-[2-(dimethylamino)ethylamino]-6-methylpyrimidine-4-carbonitrile
CID 110383441
2-[(1-aminocyclobutyl)methylamino]-6-methylpyrimidine-4-carbonitrile
CID 107552758
6-methyl-2-(2-methylbutan-2-ylamino)pyrimidine-4-carbonitrile
CID 107543261
2-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methylamino]-6-methylpyrimidine-4-carbonitrile
CID 122150193
2-[(1-ethylpyrrolidin-3-yl)methylamino]-6-methylpyrimidine-4-carbonitrile
CID 107543760
2-(hexylamino)-6-methylpyrimidine-4-carbonitrile
CID 107544597
6-methyl-2-(thiolan-3-ylamino)pyrimidine-4-carbonitrile
CID 107545432
2-(3-hydroxypentylamino)-6-methylpyrimidine-4-carbonitrile
CID 107545273

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylpropylamino)-6-methylpyrimidine-4-carbonitrile?
The IUPAC name of 2-(2-cyclopropylpropylamino)-6-methylpyrimidine-4-carbonitrile (CID 107545210) is 2-(2-cyclopropylpropylamino)-6-methylpyrimidine-4-carbonitrile.
What is the SMILES notation for 2-(2-cyclopropylpropylamino)-6-methylpyrimidine-4-carbonitrile?
The canonical SMILES for 2-(2-cyclopropylpropylamino)-6-methylpyrimidine-4-carbonitrile is Cc1cc(C#N)nc(NCC(C)C2CC2)n1.
What is the InChIKey of 2-(2-cyclopropylpropylamino)-6-methylpyrimidine-4-carbonitrile?
The InChIKey is TUNJCXQJOFKBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-8(10-3-4-10)7-14-12-15-9(2)5-11(6-13)16-12/h5,8,10H,3-4,7H2,1-2H3,(H,14,15,16).
What are the key properties of 2-(2-cyclopropylpropylamino)-6-methylpyrimidine-4-carbonitrile?
2-(2-cyclopropylpropylamino)-6-methylpyrimidine-4-carbonitrile has a molecular weight of 216.29 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylpropylamino)-6-methylpyrimidine-4-carbonitrile is sourced from PubChem (CID 107545210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).