1-(6-hydrazinyl-2-propylpyrimidin-4-yl)-4-methylazepan-4-ol

C14H25N5O — CID 107409168

IUPAC1-(6-hydrazinyl-2-propylpyrimidin-4-yl)-4-methylazepan-4-ol
SMILESCCCc1nc(NN)cc(N2CCCC(C)(O)CC2)n1
InChIInChI=1S/C14H25N5O/c1-3-5-11-16-12(18-15)10-13(17-11)19-8-4-6-14(2,20)7-9-19/h10,20H,3-9,15H2,1-2H3,(H,16,17,18)
InChIKeyZXJBVGQXZQAVDZ-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.46
Rot. Bonds4

About 1-(6-hydrazinyl-2-propylpyrimidin-4-yl)-4-methylazepan-4-ol

1-(6-hydrazinyl-2-propylpyrimidin-4-yl)-4-methylazepan-4-ol (PubChem CID 107409168) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 1-(6-hydrazinyl-2-propylpyrimidin-4-yl)-4-methylazepan-4-ol.

Molecular Properties

Compound Name1-(6-hydrazinyl-2-propylpyrimidin-4-yl)-4-methylazepan-4-ol
PubChem CID107409168
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name1-(6-hydrazinyl-2-propylpyrimidin-4-yl)-4-methylazepan-4-ol
SMILESCCCc1nc(NN)cc(N2CCCC(C)(O)CC2)n1
InChIInChI=1S/C14H25N5O/c1-3-5-11-16-12(18-15)10-13(17-11)19-8-4-6-14(2,20)7-9-19/h10,20H,3-9,15H2,1-2H3,(H,16,17,18)
InChIKeyZXJBVGQXZQAVDZ-UHFFFAOYSA-N
XLogP1.46
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.46
H-Bond Donors ≤ 53
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

[6-(8-azaspiro[4.5]decan-8-yl)-2-propylpyrimidin-4-yl]hydrazine
CID 80944594
1-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]-4-methylazepan-4-ol
CID 107409198
(2-propyl-6-thiomorpholin-4-ylpyrimidin-4-yl)hydrazine
CID 13393618
3-methyl-1-[2-propyl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 103358998
1-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)-4-methylazepan-4-ol
CID 107409163
(2-ethyl-6-piperidin-1-ylpyrimidin-4-yl)hydrazine
CID 80937224
1-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-4-methylpiperidin-4-ol
CID 81109226
6-(3,3-dimethylpiperidin-1-yl)-N-methyl-2-propylpyrimidin-4-amine
CID 80950675
1-(6-hydrazinyl-2-propylpyrimidin-4-yl)-1,4-diazepan-5-one
CID 80946966
1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]-4-methylazepan-4-ol
CID 107409102
[2-propyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]hydrazine
CID 80943836
1-(6-hydrazinyl-2-propylpyrimidin-4-yl)-N,N-dimethylpiperidin-3-amine
CID 80946979

Frequently Asked Questions

What is the IUPAC name of 1-(6-hydrazinyl-2-propylpyrimidin-4-yl)-4-methylazepan-4-ol?
The IUPAC name of 1-(6-hydrazinyl-2-propylpyrimidin-4-yl)-4-methylazepan-4-ol (CID 107409168) is 1-(6-hydrazinyl-2-propylpyrimidin-4-yl)-4-methylazepan-4-ol.
What is the SMILES notation for 1-(6-hydrazinyl-2-propylpyrimidin-4-yl)-4-methylazepan-4-ol?
The canonical SMILES for 1-(6-hydrazinyl-2-propylpyrimidin-4-yl)-4-methylazepan-4-ol is CCCc1nc(NN)cc(N2CCCC(C)(O)CC2)n1.
What is the InChIKey of 1-(6-hydrazinyl-2-propylpyrimidin-4-yl)-4-methylazepan-4-ol?
The InChIKey is ZXJBVGQXZQAVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-3-5-11-16-12(18-15)10-13(17-11)19-8-4-6-14(2,20)7-9-19/h10,20H,3-9,15H2,1-2H3,(H,16,17,18).
What are the key properties of 1-(6-hydrazinyl-2-propylpyrimidin-4-yl)-4-methylazepan-4-ol?
1-(6-hydrazinyl-2-propylpyrimidin-4-yl)-4-methylazepan-4-ol has a molecular weight of 279.39 g/mol, XLogP of 1.46, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-hydrazinyl-2-propylpyrimidin-4-yl)-4-methylazepan-4-ol is sourced from PubChem (CID 107409168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).