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

C14H23N5 — CID 80945818

IUPAC3-[methyl-[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propanenitrile
SMILESCCCNc1cc(N(C)CCC#N)nc(CCC)n1
InChIInChI=1S/C14H23N5/c1-4-7-12-17-13(16-9-5-2)11-14(18-12)19(3)10-6-8-15/h11H,4-7,9-10H2,1-3H3,(H,16,17,18)
InChIKeyWKBBIVRLYUPYNF-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.60
Rot. Bonds8

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

3-[methyl-[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propanenitrile (PubChem CID 80945818) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-[methyl-[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propanenitrile.

Molecular Properties

Compound Name3-[methyl-[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propanenitrile
PubChem CID80945818
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name3-[methyl-[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propanenitrile
SMILESCCCNc1cc(N(C)CCC#N)nc(CCC)n1
InChIInChI=1S/C14H23N5/c1-4-7-12-17-13(16-9-5-2)11-14(18-12)19(3)10-6-8-15/h11H,4-7,9-10H2,1-3H3,(H,16,17,18)
InChIKeyWKBBIVRLYUPYNF-UHFFFAOYSA-N
XLogP2.60
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-methyl-4-N-(3-methylbutyl)-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80954589
4-N-(2-methoxyethyl)-4-N-methyl-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80954731
3-[methyl-[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]butanenitrile
CID 80955556
4-N,4-N,6-N,2-tetrapropylpyrimidine-4,6-diamine
CID 80946312
2-methyl-1-[methyl-[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80950546
4-N-butyl-6-N-ethyl-4-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80945395
4-N-butyl-2-ethyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80933822
4-N-[2-(dimethylamino)ethyl]-2-ethyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80935287
3-[[2-ethyl-6-(propylamino)pyrimidin-4-yl]-(2-methylpropyl)amino]propanenitrile
CID 80940313
3-[[methyl-[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol
CID 80943445
3-[ethyl-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]propanenitrile
CID 80934943
4-N-[2-(diethylamino)ethyl]-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80940577

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propanenitrile?
The IUPAC name of 3-[methyl-[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propanenitrile (CID 80945818) is 3-[methyl-[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propanenitrile.
What is the SMILES notation for 3-[methyl-[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propanenitrile?
The canonical SMILES for 3-[methyl-[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propanenitrile is CCCNc1cc(N(C)CCC#N)nc(CCC)n1.
What is the InChIKey of 3-[methyl-[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propanenitrile?
The InChIKey is WKBBIVRLYUPYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-4-7-12-17-13(16-9-5-2)11-14(18-12)19(3)10-6-8-15/h11H,4-7,9-10H2,1-3H3,(H,16,17,18).
What are the key properties of 3-[methyl-[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propanenitrile?
3-[methyl-[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propanenitrile has a molecular weight of 261.37 g/mol, XLogP of 2.60, 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]propanenitrile is sourced from PubChem (CID 80945818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).