6-hydrazinyl-N-(4-methoxybutan-2-yl)-2-propylpyrimidin-4-amine

C12H23N5O — CID 80946800

IUPAC6-hydrazinyl-N-(4-methoxybutan-2-yl)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NN)cc(NC(C)CCOC)n1
InChIInChI=1S/C12H23N5O/c1-4-5-10-15-11(8-12(16-10)17-13)14-9(2)6-7-18-3/h8-9H,4-7,13H2,1-3H3,(H2,14,15,16,17)
InChIKeySQGWGWCKQBBFSP-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.55
Rot. Bonds8

About 6-hydrazinyl-N-(4-methoxybutan-2-yl)-2-propylpyrimidin-4-amine

6-hydrazinyl-N-(4-methoxybutan-2-yl)-2-propylpyrimidin-4-amine (PubChem CID 80946800) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is 6-hydrazinyl-N-(4-methoxybutan-2-yl)-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-N-(4-methoxybutan-2-yl)-2-propylpyrimidin-4-amine
PubChem CID80946800
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC Name6-hydrazinyl-N-(4-methoxybutan-2-yl)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NN)cc(NC(C)CCOC)n1
InChIInChI=1S/C12H23N5O/c1-4-5-10-15-11(8-12(16-10)17-13)14-9(2)6-7-18-3/h8-9H,4-7,13H2,1-3H3,(H2,14,15,16,17)
InChIKeySQGWGWCKQBBFSP-UHFFFAOYSA-N
XLogP1.55
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.55
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

2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]propan-1-ol
CID 80947239
2-ethyl-6-hydrazinyl-N-(1-methoxypropan-2-yl)pyrimidin-4-amine
CID 80940815
6-hydrazinyl-N-(3-methylpentan-2-yl)-2-propylpyrimidin-4-amine
CID 80946706
2-ethyl-6-hydrazinyl-N-pentan-2-ylpyrimidin-4-amine
CID 80940178
methyl 2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]propanoate
CID 80947630
ethyl 2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]propanoate
CID 80947723
[6-(3-methylbutoxy)-2-propylpyrimidin-4-yl]hydrazine
CID 80947494
6-hydrazinyl-N-(1-phenylethyl)-2-propylpyrimidin-4-amine
CID 80947755
3-[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]butan-1-ol
CID 83180465
2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]butan-1-ol
CID 80947147
4-N-hexan-2-yl-2-propylpyrimidine-4,6-diamine
CID 80954835
6-hydrazinyl-N-[1-(4-methylphenyl)ethyl]-2-propylpyrimidin-4-amine
CID 80942940

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-(4-methoxybutan-2-yl)-2-propylpyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-N-(4-methoxybutan-2-yl)-2-propylpyrimidin-4-amine (CID 80946800) is 6-hydrazinyl-N-(4-methoxybutan-2-yl)-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-N-(4-methoxybutan-2-yl)-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-N-(4-methoxybutan-2-yl)-2-propylpyrimidin-4-amine is CCCc1nc(NN)cc(NC(C)CCOC)n1.
What is the InChIKey of 6-hydrazinyl-N-(4-methoxybutan-2-yl)-2-propylpyrimidin-4-amine?
The InChIKey is SQGWGWCKQBBFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O/c1-4-5-10-15-11(8-12(16-10)17-13)14-9(2)6-7-18-3/h8-9H,4-7,13H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 6-hydrazinyl-N-(4-methoxybutan-2-yl)-2-propylpyrimidin-4-amine?
6-hydrazinyl-N-(4-methoxybutan-2-yl)-2-propylpyrimidin-4-amine has a molecular weight of 253.35 g/mol, XLogP of 1.55, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-(4-methoxybutan-2-yl)-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80946800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).