3-[methyl-[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]butanenitrile

C11H17N5 — CID 80829150

IUPAC3-[methyl-[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]butanenitrile
SMILESCNc1nc(C)cc(N(C)C(C)CC#N)n1
InChIInChI=1S/C11H17N5/c1-8-7-10(15-11(13-3)14-8)16(4)9(2)5-6-12/h7,9H,5H2,1-4H3,(H,13,14,15)
InChIKeySYVANIBGFBTOGC-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.57
Rot. Bonds4

About 3-[methyl-[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]butanenitrile

3-[methyl-[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]butanenitrile (PubChem CID 80829150) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is 3-[methyl-[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]butanenitrile.

Molecular Properties

Compound Name3-[methyl-[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]butanenitrile
PubChem CID80829150
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name3-[methyl-[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]butanenitrile
SMILESCNc1nc(C)cc(N(C)C(C)CC#N)n1
InChIInChI=1S/C11H17N5/c1-8-7-10(15-11(13-3)14-8)16(4)9(2)5-6-12/h7,9H,5H2,1-4H3,(H,13,14,15)
InChIKeySYVANIBGFBTOGC-UHFFFAOYSA-N
XLogP1.57
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N,4-N,6-trimethyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 80764020
3-[ethyl-[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propanenitrile
CID 80806847
2-N,4-N,6-trimethyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-2,4-diamine
CID 80850116
4-N-ethyl-2-N,6-dimethyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 80774522
3-[methyl-(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]butanenitrile
CID 66282563
3-[(6-hydrazinyl-2-propylpyrimidin-4-yl)-methylamino]butanenitrile
CID 80947733
4-N-(2,2-dimethylpropyl)-2-N,4-N,6-trimethylpyrimidine-2,4-diamine
CID 80819241
3-[methyl-[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]butanenitrile
CID 80955556
4-N,6-dimethyl-4-N-(3-methylbutan-2-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80793518
3-[methyl-[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]butanenitrile
CID 80829045
3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]-propan-2-ylamino]propanenitrile
CID 80811463
4-N-cyclopropyl-2-N,6-dimethyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 80811378

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]butanenitrile?
The IUPAC name of 3-[methyl-[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]butanenitrile (CID 80829150) is 3-[methyl-[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]butanenitrile.
What is the SMILES notation for 3-[methyl-[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]butanenitrile?
The canonical SMILES for 3-[methyl-[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]butanenitrile is CNc1nc(C)cc(N(C)C(C)CC#N)n1.
What is the InChIKey of 3-[methyl-[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]butanenitrile?
The InChIKey is SYVANIBGFBTOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-8-7-10(15-11(13-3)14-8)16(4)9(2)5-6-12/h7,9H,5H2,1-4H3,(H,13,14,15).
What are the key properties of 3-[methyl-[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]butanenitrile?
3-[methyl-[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]butanenitrile has a molecular weight of 219.29 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]butanenitrile is sourced from PubChem (CID 80829150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).