3-[(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)-methylamino]butanenitrile

C13H22N6 — CID 81006300

IUPAC3-[(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)-methylamino]butanenitrile
SMILESCCCc1nc(NN)c(C)c(N(C)C(C)CC#N)n1
InChIInChI=1S/C13H22N6/c1-5-6-11-16-12(18-15)10(3)13(17-11)19(4)9(2)7-8-14/h9H,5-7,15H2,1-4H3,(H,16,17,18)
InChIKeyNCIIGMRFOICIFX-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.76
Rot. Bonds6

About 3-[(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)-methylamino]butanenitrile

3-[(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)-methylamino]butanenitrile (PubChem CID 81006300) has the molecular formula C13H22N6 and a molecular weight of 262.36 g/mol. Its IUPAC name is 3-[(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)-methylamino]butanenitrile.

Molecular Properties

Compound Name3-[(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)-methylamino]butanenitrile
PubChem CID81006300
Molecular FormulaC13H22N6
Molecular Weight262.36 g/mol
Exact Mass262.19
IUPAC Name3-[(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)-methylamino]butanenitrile
SMILESCCCc1nc(NN)c(C)c(N(C)C(C)CC#N)n1
InChIInChI=1S/C13H22N6/c1-5-6-11-16-12(18-15)10(3)13(17-11)19(4)9(2)7-8-14/h9H,5-7,15H2,1-4H3,(H,16,17,18)
InChIKeyNCIIGMRFOICIFX-UHFFFAOYSA-N
XLogP1.76
TPSA90.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]butanenitrile
CID 81005963
N-ethyl-6-hydrazinyl-5-methyl-N-(2-methylpropyl)-2-propylpyrimidin-4-amine
CID 80995591
6-hydrazinyl-N,5-dimethyl-2-propyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine
CID 80994920
3-[(6-hydrazinyl-2-propylpyrimidin-4-yl)-methylamino]butanenitrile
CID 80947733
1-N-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 81006767
4-N,5-dimethyl-4-N-pentan-2-yl-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80986626
N-cyclopropyl-6-hydrazinyl-5-methyl-N-(2-methylpropyl)-2-propylpyrimidin-4-amine
CID 81006373
N-(cyclopropylmethyl)-6-hydrazinyl-5-methyl-N-propan-2-yl-2-propylpyrimidin-4-amine
CID 81006046
6-hydrazinyl-5-methyl-N-(2-methylpropyl)-2-propylpyrimidin-4-amine
CID 81001135
6-hydrazinyl-5-methyl-N-(4-methylhexan-2-yl)-2-propylpyrimidin-4-amine
CID 81007165
[5-methyl-6-(2-methylbutylsulfanyl)-2-propylpyrimidin-4-yl]hydrazine
CID 107766364
2-cyclopropyl-6-hydrazinyl-N,5-dimethyl-N-pentan-2-ylpyrimidin-4-amine
CID 80995701

Frequently Asked Questions

What is the IUPAC name of 3-[(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)-methylamino]butanenitrile?
The IUPAC name of 3-[(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)-methylamino]butanenitrile (CID 81006300) is 3-[(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)-methylamino]butanenitrile.
What is the SMILES notation for 3-[(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)-methylamino]butanenitrile?
The canonical SMILES for 3-[(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)-methylamino]butanenitrile is CCCc1nc(NN)c(C)c(N(C)C(C)CC#N)n1.
What is the InChIKey of 3-[(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)-methylamino]butanenitrile?
The InChIKey is NCIIGMRFOICIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6/c1-5-6-11-16-12(18-15)10(3)13(17-11)19(4)9(2)7-8-14/h9H,5-7,15H2,1-4H3,(H,16,17,18).
What are the key properties of 3-[(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)-methylamino]butanenitrile?
3-[(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)-methylamino]butanenitrile has a molecular weight of 262.36 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)-methylamino]butanenitrile is sourced from PubChem (CID 81006300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).