6-hydrazinyl-4-N,4-N-bis(3-methylbutyl)pyrimidine-2,4-diamine

C14H28N6 — CID 107871833

IUPAC6-hydrazinyl-4-N,4-N-bis(3-methylbutyl)pyrimidine-2,4-diamine
SMILESCC(C)CCN(CCC(C)C)c1cc(NN)nc(N)n1
InChIInChI=1S/C14H28N6/c1-10(2)5-7-20(8-6-11(3)4)13-9-12(19-16)17-14(15)18-13/h9-11H,5-8,16H2,1-4H3,(H3,15,17,18,19)
InChIKeyPHPKXNIRKQPVCI-UHFFFAOYSA-N
MW280.42 g/mol
LogP2.24
Rot. Bonds8

About 6-hydrazinyl-4-N,4-N-bis(3-methylbutyl)pyrimidine-2,4-diamine

6-hydrazinyl-4-N,4-N-bis(3-methylbutyl)pyrimidine-2,4-diamine (PubChem CID 107871833) has the molecular formula C14H28N6 and a molecular weight of 280.42 g/mol. Its IUPAC name is 6-hydrazinyl-4-N,4-N-bis(3-methylbutyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-hydrazinyl-4-N,4-N-bis(3-methylbutyl)pyrimidine-2,4-diamine
PubChem CID107871833
Molecular FormulaC14H28N6
Molecular Weight280.42 g/mol
Exact Mass280.24
IUPAC Name6-hydrazinyl-4-N,4-N-bis(3-methylbutyl)pyrimidine-2,4-diamine
SMILESCC(C)CCN(CCC(C)C)c1cc(NN)nc(N)n1
InChIInChI=1S/C14H28N6/c1-10(2)5-7-20(8-6-11(3)4)13-9-12(19-16)17-14(15)18-13/h9-11H,5-8,16H2,1-4H3,(H3,15,17,18,19)
InChIKeyPHPKXNIRKQPVCI-UHFFFAOYSA-N
XLogP2.24
TPSA93.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 52.24
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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Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-4-N,4-N-bis(3-methylbutyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-hydrazinyl-4-N,4-N-bis(3-methylbutyl)pyrimidine-2,4-diamine (CID 107871833) is 6-hydrazinyl-4-N,4-N-bis(3-methylbutyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-hydrazinyl-4-N,4-N-bis(3-methylbutyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-hydrazinyl-4-N,4-N-bis(3-methylbutyl)pyrimidine-2,4-diamine is CC(C)CCN(CCC(C)C)c1cc(NN)nc(N)n1.
What is the InChIKey of 6-hydrazinyl-4-N,4-N-bis(3-methylbutyl)pyrimidine-2,4-diamine?
The InChIKey is PHPKXNIRKQPVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N6/c1-10(2)5-7-20(8-6-11(3)4)13-9-12(19-16)17-14(15)18-13/h9-11H,5-8,16H2,1-4H3,(H3,15,17,18,19).
What are the key properties of 6-hydrazinyl-4-N,4-N-bis(3-methylbutyl)pyrimidine-2,4-diamine?
6-hydrazinyl-4-N,4-N-bis(3-methylbutyl)pyrimidine-2,4-diamine has a molecular weight of 280.42 g/mol, XLogP of 2.24, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-4-N,4-N-bis(3-methylbutyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 107871833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).