3-[[6-(ethylamino)-5-propylpyrimidin-4-yl]-methylamino]butanenitrile

C14H23N5 — CID 80829044

IUPAC3-[[6-(ethylamino)-5-propylpyrimidin-4-yl]-methylamino]butanenitrile
SMILESCCCc1c(NCC)ncnc1N(C)C(C)CC#N
InChIInChI=1S/C14H23N5/c1-5-7-12-13(16-6-2)17-10-18-14(12)19(4)11(3)8-9-15/h10-11H,5-8H2,1-4H3,(H,16,17,18)
InChIKeyIMSUWXKALXZIQI-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.60
Rot. Bonds7

About 3-[[6-(ethylamino)-5-propylpyrimidin-4-yl]-methylamino]butanenitrile

3-[[6-(ethylamino)-5-propylpyrimidin-4-yl]-methylamino]butanenitrile (PubChem CID 80829044) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-[[6-(ethylamino)-5-propylpyrimidin-4-yl]-methylamino]butanenitrile.

Molecular Properties

Compound Name3-[[6-(ethylamino)-5-propylpyrimidin-4-yl]-methylamino]butanenitrile
PubChem CID80829044
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name3-[[6-(ethylamino)-5-propylpyrimidin-4-yl]-methylamino]butanenitrile
SMILESCCCc1c(NCC)ncnc1N(C)C(C)CC#N
InChIInChI=1S/C14H23N5/c1-5-7-12-13(16-6-2)17-10-18-14(12)19(4)11(3)8-9-15/h10-11H,5-8H2,1-4H3,(H,16,17,18)
InChIKeyIMSUWXKALXZIQI-UHFFFAOYSA-N
XLogP2.60
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
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-butan-2-yl-6-N-ethyl-4-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80775365
6-N-ethyl-4-N,4-N-dimethyl-5-propylpyrimidine-4,6-diamine
CID 80765941
6-hydrazinyl-N-methyl-N-pentan-2-yl-5-propylpyrimidin-4-amine
CID 80906528
3-[(6-amino-5-ethylpyrimidin-4-yl)-methylamino]butanenitrile
CID 80828255
2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-methylamino]propan-1-ol
CID 104557148
6-N,5-diethyl-4-N-(1-methoxypropan-2-yl)-4-N-methylpyrimidine-4,6-diamine
CID 80809383
6-N-ethyl-4-N,5-dimethyl-4-N-pentan-2-ylpyrimidine-4,6-diamine
CID 80792480
4-N-(1-cyclopropylethyl)-4-N-methyl-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80792671
3-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-methylamino]butanenitrile
CID 80828643
3-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-methylamino]propanenitrile
CID 80916482
N-(1-cyclopropylethyl)-6-hydrazinyl-N-methyl-5-propylpyrimidin-4-amine
CID 80906264
3-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-(2-methylpropyl)amino]propanenitrile
CID 80900553

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(ethylamino)-5-propylpyrimidin-4-yl]-methylamino]butanenitrile?
The IUPAC name of 3-[[6-(ethylamino)-5-propylpyrimidin-4-yl]-methylamino]butanenitrile (CID 80829044) is 3-[[6-(ethylamino)-5-propylpyrimidin-4-yl]-methylamino]butanenitrile.
What is the SMILES notation for 3-[[6-(ethylamino)-5-propylpyrimidin-4-yl]-methylamino]butanenitrile?
The canonical SMILES for 3-[[6-(ethylamino)-5-propylpyrimidin-4-yl]-methylamino]butanenitrile is CCCc1c(NCC)ncnc1N(C)C(C)CC#N.
What is the InChIKey of 3-[[6-(ethylamino)-5-propylpyrimidin-4-yl]-methylamino]butanenitrile?
The InChIKey is IMSUWXKALXZIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-5-7-12-13(16-6-2)17-10-18-14(12)19(4)11(3)8-9-15/h10-11H,5-8H2,1-4H3,(H,16,17,18).
What are the key properties of 3-[[6-(ethylamino)-5-propylpyrimidin-4-yl]-methylamino]butanenitrile?
3-[[6-(ethylamino)-5-propylpyrimidin-4-yl]-methylamino]butanenitrile has a molecular weight of 261.37 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(ethylamino)-5-propylpyrimidin-4-yl]-methylamino]butanenitrile is sourced from PubChem (CID 80829044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).