3-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)-cyclopropylamino]propanenitrile

C14H21N5 — CID 80983361

IUPAC3-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)-cyclopropylamino]propanenitrile
SMILESCc1c(N)nc(C(C)C)nc1N(CCC#N)C1CC1
InChIInChI=1S/C14H21N5/c1-9(2)13-17-12(16)10(3)14(18-13)19(8-4-7-15)11-5-6-11/h9,11H,4-6,8H2,1-3H3,(H2,16,17,18)
InChIKeyZSWWBDWDBRILIJ-UHFFFAOYSA-N
MW259.36 g/mol
LogP2.37
Rot. Bonds5

About 3-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)-cyclopropylamino]propanenitrile

3-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)-cyclopropylamino]propanenitrile (PubChem CID 80983361) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 3-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)-cyclopropylamino]propanenitrile.

Molecular Properties

Compound Name3-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)-cyclopropylamino]propanenitrile
PubChem CID80983361
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name3-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)-cyclopropylamino]propanenitrile
SMILESCc1c(N)nc(C(C)C)nc1N(CCC#N)C1CC1
InChIInChI=1S/C14H21N5/c1-9(2)13-17-12(16)10(3)14(18-13)19(8-4-7-15)11-5-6-11/h9,11H,4-6,8H2,1-3H3,(H2,16,17,18)
InChIKeyZSWWBDWDBRILIJ-UHFFFAOYSA-N
XLogP2.37
TPSA78.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-amino-5-methylpyrimidin-4-yl)-cyclopropylamino]propanenitrile
CID 80809861
N-cyclopropyl-6-hydrazinyl-5-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80995786
3-[cyclopropyl-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propanenitrile
CID 80994835
4-N-(cyclopropylmethyl)-5-methyl-4-N,2-di(propan-2-yl)pyrimidine-4,6-diamine
CID 80982410
3-[(6-chloro-4,5-dimethylpyridazin-3-yl)-cyclopropylamino]propanenitrile
CID 63271985
3-[(6-amino-5-ethylpyrimidin-4-yl)-cyclopropylamino]propanenitrile
CID 80811362
4-N,5-dimethyl-2-propan-2-yl-4-N-propylpyrimidine-4,6-diamine
CID 80993107
3-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)-cyclopropylamino]propanenitrile
CID 63728481
4-N,4-N-dibutyl-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80976255
4-N-ethyl-5-methyl-2-propan-2-yl-4-N-propylpyrimidine-4,6-diamine
CID 80993450
3-[cyclopropyl-(5,6-diamino-2-pyridinyl)amino]propanenitrile
CID 79825815
4-N-(cyclobutylmethyl)-4-N-ethyl-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 107403147

Frequently Asked Questions

What is the IUPAC name of 3-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)-cyclopropylamino]propanenitrile?
The IUPAC name of 3-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)-cyclopropylamino]propanenitrile (CID 80983361) is 3-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)-cyclopropylamino]propanenitrile.
What is the SMILES notation for 3-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)-cyclopropylamino]propanenitrile?
The canonical SMILES for 3-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)-cyclopropylamino]propanenitrile is Cc1c(N)nc(C(C)C)nc1N(CCC#N)C1CC1.
What is the InChIKey of 3-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)-cyclopropylamino]propanenitrile?
The InChIKey is ZSWWBDWDBRILIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-9(2)13-17-12(16)10(3)14(18-13)19(8-4-7-15)11-5-6-11/h9,11H,4-6,8H2,1-3H3,(H2,16,17,18).
What are the key properties of 3-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)-cyclopropylamino]propanenitrile?
3-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)-cyclopropylamino]propanenitrile has a molecular weight of 259.36 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)-cyclopropylamino]propanenitrile is sourced from PubChem (CID 80983361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).