5-hydrazinyl-N-pentan-2-yl-2-propan-2-ylpyrimidine-4-carboxamide

C13H23N5O — CID 62233583

IUPAC5-hydrazinyl-N-pentan-2-yl-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCCCC(C)NC(=O)c1nc(C(C)C)ncc1NN
InChIInChI=1S/C13H23N5O/c1-5-6-9(4)16-13(19)11-10(18-14)7-15-12(17-11)8(2)3/h7-9,18H,5-6,14H2,1-4H3,(H,16,19)
InChIKeyRBDUNTMFAUSGHT-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.80
Rot. Bonds6

About 5-hydrazinyl-N-pentan-2-yl-2-propan-2-ylpyrimidine-4-carboxamide

5-hydrazinyl-N-pentan-2-yl-2-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 62233583) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 5-hydrazinyl-N-pentan-2-yl-2-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-hydrazinyl-N-pentan-2-yl-2-propan-2-ylpyrimidine-4-carboxamide
PubChem CID62233583
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name5-hydrazinyl-N-pentan-2-yl-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCCCC(C)NC(=O)c1nc(C(C)C)ncc1NN
InChIInChI=1S/C13H23N5O/c1-5-6-9(4)16-13(19)11-10(18-14)7-15-12(17-11)8(2)3/h7-9,18H,5-6,14H2,1-4H3,(H,16,19)
InChIKeyRBDUNTMFAUSGHT-UHFFFAOYSA-N
XLogP1.80
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-hydrazinyl-N-pentan-2-yl-2-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 5-hydrazinyl-N-pentan-2-yl-2-propan-2-ylpyrimidine-4-carboxamide (CID 62233583) is 5-hydrazinyl-N-pentan-2-yl-2-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-hydrazinyl-N-pentan-2-yl-2-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 5-hydrazinyl-N-pentan-2-yl-2-propan-2-ylpyrimidine-4-carboxamide is CCCC(C)NC(=O)c1nc(C(C)C)ncc1NN.
What is the InChIKey of 5-hydrazinyl-N-pentan-2-yl-2-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is RBDUNTMFAUSGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-5-6-9(4)16-13(19)11-10(18-14)7-15-12(17-11)8(2)3/h7-9,18H,5-6,14H2,1-4H3,(H,16,19).
What are the key properties of 5-hydrazinyl-N-pentan-2-yl-2-propan-2-ylpyrimidine-4-carboxamide?
5-hydrazinyl-N-pentan-2-yl-2-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 1.80, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydrazinyl-N-pentan-2-yl-2-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 62233583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).