N-(5-chloro-2-hydrazinylpyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine

C10H19ClN6 — CID 80908156

IUPACN-(5-chloro-2-hydrazinylpyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine
SMILESCN(C)CCCCNc1nc(NN)ncc1Cl
InChIInChI=1S/C10H19ClN6/c1-17(2)6-4-3-5-13-9-8(11)7-14-10(15-9)16-12/h7H,3-6,12H2,1-2H3,(H2,13,14,15,16)
InChIKeyWVLFBQGHJJHRNM-UHFFFAOYSA-N
MW258.76 g/mol
LogP1.17
Rot. Bonds7

About N-(5-chloro-2-hydrazinylpyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine

N-(5-chloro-2-hydrazinylpyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine (PubChem CID 80908156) has the molecular formula C10H19ClN6 and a molecular weight of 258.76 g/mol. Its IUPAC name is N-(5-chloro-2-hydrazinylpyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine.

Molecular Properties

Compound NameN-(5-chloro-2-hydrazinylpyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine
PubChem CID80908156
Molecular FormulaC10H19ClN6
Molecular Weight258.76 g/mol
Exact Mass258.14
IUPAC NameN-(5-chloro-2-hydrazinylpyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine
SMILESCN(C)CCCCNc1nc(NN)ncc1Cl
InChIInChI=1S/C10H19ClN6/c1-17(2)6-4-3-5-13-9-8(11)7-14-10(15-9)16-12/h7H,3-6,12H2,1-2H3,(H2,13,14,15,16)
InChIKeyWVLFBQGHJJHRNM-UHFFFAOYSA-N
XLogP1.17
TPSA79.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.76
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-decyl-2-hydrazinylpyrimidin-4-amine
CID 80929289
5-chloro-N-(3-fluoropropyl)-2-hydrazinylpyrimidin-4-amine
CID 130505153
5-chloro-2-hydrazinyl-N-(3-methylsulfanylpropyl)pyrimidin-4-amine
CID 80913327
3-N-(5-chloro-2-hydrazinylpyrimidin-4-yl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 80904346
5-chloro-N-(2,2-dimethylpropyl)-2-hydrazinylpyrimidin-4-amine
CID 80898024
5-chloro-2-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine
CID 106424726
N-(2-hydrazinylpyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine
CID 80908527
3-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-N-methylpropanamide
CID 80903270
3,5-dichloro-6-N-[4-(dimethylamino)butyl]-2-N-propylpyridine-2,6-diamine
CID 102757675
1-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-2-methylpropan-2-ol
CID 80915615
5-chloro-2-N-methyl-4-N-octylpyrimidine-2,4-diamine
CID 113336805
5-chloro-4-N-octyl-2-N-propylpyrimidine-2,4-diamine
CID 115565369

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-hydrazinylpyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine?
The IUPAC name of N-(5-chloro-2-hydrazinylpyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine (CID 80908156) is N-(5-chloro-2-hydrazinylpyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine.
What is the SMILES notation for N-(5-chloro-2-hydrazinylpyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine?
The canonical SMILES for N-(5-chloro-2-hydrazinylpyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine is CN(C)CCCCNc1nc(NN)ncc1Cl.
What is the InChIKey of N-(5-chloro-2-hydrazinylpyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine?
The InChIKey is WVLFBQGHJJHRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClN6/c1-17(2)6-4-3-5-13-9-8(11)7-14-10(15-9)16-12/h7H,3-6,12H2,1-2H3,(H2,13,14,15,16).
What are the key properties of N-(5-chloro-2-hydrazinylpyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine?
N-(5-chloro-2-hydrazinylpyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine has a molecular weight of 258.76 g/mol, XLogP of 1.17, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-hydrazinylpyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine is sourced from PubChem (CID 80908156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).