2-[(6-butan-2-ylpyrimidin-4-yl)amino]acetonitrile

C10H14N4 — CID 126848650

IUPAC2-[(6-butan-2-ylpyrimidin-4-yl)amino]acetonitrile
SMILESCCC(C)c1cc(NCC#N)ncn1
InChIInChI=1S/C10H14N4/c1-3-8(2)9-6-10(12-5-4-11)14-7-13-9/h6-8H,3,5H2,1-2H3,(H,12,13,14)
InChIKeyJVWCFJYPLUEFGS-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.93
Rot. Bonds4

About 2-[(6-butan-2-ylpyrimidin-4-yl)amino]acetonitrile

2-[(6-butan-2-ylpyrimidin-4-yl)amino]acetonitrile (PubChem CID 126848650) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is 2-[(6-butan-2-ylpyrimidin-4-yl)amino]acetonitrile.

Molecular Properties

Compound Name2-[(6-butan-2-ylpyrimidin-4-yl)amino]acetonitrile
PubChem CID126848650
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC Name2-[(6-butan-2-ylpyrimidin-4-yl)amino]acetonitrile
SMILESCCC(C)c1cc(NCC#N)ncn1
InChIInChI=1S/C10H14N4/c1-3-8(2)9-6-10(12-5-4-11)14-7-13-9/h6-8H,3,5H2,1-2H3,(H,12,13,14)
InChIKeyJVWCFJYPLUEFGS-UHFFFAOYSA-N
XLogP1.93
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

N'-propan-2-yl-N-(6-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 62663943
2-[[6-[cyclobutyl(methyl)amino]pyrimidin-4-yl]amino]acetonitrile
CID 115264844
2-[[6-(pyridin-4-ylamino)pyrimidin-4-yl]amino]acetonitrile
CID 115264796
2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]acetonitrile
CID 115264794
N-pentyl-6-propan-2-ylpyrimidin-4-amine
CID 61239397
2-[[5-(4-butan-2-ylphenyl)pyrimidin-2-yl]amino]acetonitrile
CID 116975607
2-[cyanomethyl-[6-(ethylamino)pyrimidin-4-yl]amino]acetonitrile
CID 80753559
6-pentan-3-yl-N-prop-2-enylpyrimidin-4-amine
CID 126848400
2-[[6-(oxan-4-ylmethylamino)pyrimidin-4-yl]amino]acetonitrile
CID 115264871
2-[[6-(2-cyclohexylethylamino)pyrimidin-4-yl]amino]acetonitrile
CID 115264917
methyl 2-[(6-propan-2-ylpyrimidin-4-yl)amino]acetate
CID 55151659
6-propan-2-yl-N-prop-2-enylpyrimidin-4-amine
CID 62142623

Frequently Asked Questions

What is the IUPAC name of 2-[(6-butan-2-ylpyrimidin-4-yl)amino]acetonitrile?
The IUPAC name of 2-[(6-butan-2-ylpyrimidin-4-yl)amino]acetonitrile (CID 126848650) is 2-[(6-butan-2-ylpyrimidin-4-yl)amino]acetonitrile.
What is the SMILES notation for 2-[(6-butan-2-ylpyrimidin-4-yl)amino]acetonitrile?
The canonical SMILES for 2-[(6-butan-2-ylpyrimidin-4-yl)amino]acetonitrile is CCC(C)c1cc(NCC#N)ncn1.
What is the InChIKey of 2-[(6-butan-2-ylpyrimidin-4-yl)amino]acetonitrile?
The InChIKey is JVWCFJYPLUEFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4/c1-3-8(2)9-6-10(12-5-4-11)14-7-13-9/h6-8H,3,5H2,1-2H3,(H,12,13,14).
What are the key properties of 2-[(6-butan-2-ylpyrimidin-4-yl)amino]acetonitrile?
2-[(6-butan-2-ylpyrimidin-4-yl)amino]acetonitrile has a molecular weight of 190.25 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-butan-2-ylpyrimidin-4-yl)amino]acetonitrile is sourced from PubChem (CID 126848650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).