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

C15H25N5 — CID 80955556

IUPAC3-[methyl-[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]butanenitrile
SMILESCCCNc1cc(N(C)C(C)CC#N)nc(CCC)n1
InChIInChI=1S/C15H25N5/c1-5-7-13-18-14(17-10-6-2)11-15(19-13)20(4)12(3)8-9-16/h11-12H,5-8,10H2,1-4H3,(H,17,18,19)
InChIKeyNBYBUQDWHOHOQS-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.99
Rot. Bonds8

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

3-[methyl-[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]butanenitrile (PubChem CID 80955556) has the molecular formula C15H25N5 and a molecular weight of 275.40 g/mol. Its IUPAC name is 3-[methyl-[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]butanenitrile.

Molecular Properties

Compound Name3-[methyl-[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]butanenitrile
PubChem CID80955556
Molecular FormulaC15H25N5
Molecular Weight275.40 g/mol
Exact Mass275.21
IUPAC Name3-[methyl-[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]butanenitrile
SMILESCCCNc1cc(N(C)C(C)CC#N)nc(CCC)n1
InChIInChI=1S/C15H25N5/c1-5-7-13-18-14(17-10-6-2)11-15(19-13)20(4)12(3)8-9-16/h11-12H,5-8,10H2,1-4H3,(H,17,18,19)
InChIKeyNBYBUQDWHOHOQS-UHFFFAOYSA-N
XLogP2.99
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(6-hydrazinyl-2-propylpyrimidin-4-yl)-methylamino]butanenitrile
CID 80947733
3-[methyl-[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]butanenitrile
CID 80829045
3-[methyl-[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propanenitrile
CID 80945818
4-N-methyl-4-N-(3-methylbutyl)-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80954589
3-[methyl-[6-(propylamino)pyrazin-2-yl]amino]butanenitrile
CID 80828763
2-ethyl-4-N-methyl-4-N-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80933924
4-N,4-N,6-N,2-tetrapropylpyrimidine-4,6-diamine
CID 80946312
4-N-(2-methoxyethyl)-4-N-methyl-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80954731
2-methyl-1-[methyl-[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80950546
4-N-(2,3-dimethylbutyl)-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80949730
6-N-ethyl-4-N,4-N-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80946313
4-N-butan-2-yl-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine
CID 80776337

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]butanenitrile?
The IUPAC name of 3-[methyl-[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]butanenitrile (CID 80955556) is 3-[methyl-[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]butanenitrile.
What is the SMILES notation for 3-[methyl-[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]butanenitrile?
The canonical SMILES for 3-[methyl-[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]butanenitrile is CCCNc1cc(N(C)C(C)CC#N)nc(CCC)n1.
What is the InChIKey of 3-[methyl-[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]butanenitrile?
The InChIKey is NBYBUQDWHOHOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5/c1-5-7-13-18-14(17-10-6-2)11-15(19-13)20(4)12(3)8-9-16/h11-12H,5-8,10H2,1-4H3,(H,17,18,19).
What are the key properties of 3-[methyl-[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]butanenitrile?
3-[methyl-[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]butanenitrile has a molecular weight of 275.40 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]butanenitrile is sourced from PubChem (CID 80955556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).