5-[amino-[(Z)-aminodiazenyl]methyl]-N-(1-phenylcyclopropyl)pyrimidin-2-amine

C14H17N7 — CID 142425609

IUPAC5-[amino-[(Z)-aminodiazenyl]methyl]-N-(1-phenylcyclopropyl)pyrimidin-2-amine
SMILESN/N=N\C(N)c1cnc(NC2(c3ccccc3)CC2)nc1
InChIInChI=1S/C14H17N7/c15-12(20-21-16)10-8-17-13(18-9-10)19-14(6-7-14)11-4-2-1-3-5-11/h1-5,8-9,12H,6-7,15H2,(H2,16,20)(H,17,18,19)
InChIKeyDIGKZGFTWJUYPD-UHFFFAOYSA-N
MW283.34 g/mol
LogP1.86
Rot. Bonds5

About 5-[amino-[(Z)-aminodiazenyl]methyl]-N-(1-phenylcyclopropyl)pyrimidin-2-amine

5-[amino-[(Z)-aminodiazenyl]methyl]-N-(1-phenylcyclopropyl)pyrimidin-2-amine (PubChem CID 142425609) has the molecular formula C14H17N7 and a molecular weight of 283.34 g/mol. Its IUPAC name is 5-[amino-[(Z)-aminodiazenyl]methyl]-N-(1-phenylcyclopropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-[amino-[(Z)-aminodiazenyl]methyl]-N-(1-phenylcyclopropyl)pyrimidin-2-amine
PubChem CID142425609
Molecular FormulaC14H17N7
Molecular Weight283.34 g/mol
Exact Mass283.15
IUPAC Name5-[amino-[(Z)-aminodiazenyl]methyl]-N-(1-phenylcyclopropyl)pyrimidin-2-amine
SMILESN/N=N\C(N)c1cnc(NC2(c3ccccc3)CC2)nc1
InChIInChI=1S/C14H17N7/c15-12(20-21-16)10-8-17-13(18-9-10)19-14(6-7-14)11-4-2-1-3-5-11/h1-5,8-9,12H,6-7,15H2,(H2,16,20)(H,17,18,19)
InChIKeyDIGKZGFTWJUYPD-UHFFFAOYSA-N
XLogP1.86
TPSA114.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'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-[amino-[(Z)-aminodiazenyl]methyl]-N-(1-phenylcyclopropyl)pyrimidin-2-amine?
The IUPAC name of 5-[amino-[(Z)-aminodiazenyl]methyl]-N-(1-phenylcyclopropyl)pyrimidin-2-amine (CID 142425609) is 5-[amino-[(Z)-aminodiazenyl]methyl]-N-(1-phenylcyclopropyl)pyrimidin-2-amine.
What is the SMILES notation for 5-[amino-[(Z)-aminodiazenyl]methyl]-N-(1-phenylcyclopropyl)pyrimidin-2-amine?
The canonical SMILES for 5-[amino-[(Z)-aminodiazenyl]methyl]-N-(1-phenylcyclopropyl)pyrimidin-2-amine is N/N=N\C(N)c1cnc(NC2(c3ccccc3)CC2)nc1.
What is the InChIKey of 5-[amino-[(Z)-aminodiazenyl]methyl]-N-(1-phenylcyclopropyl)pyrimidin-2-amine?
The InChIKey is DIGKZGFTWJUYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N7/c15-12(20-21-16)10-8-17-13(18-9-10)19-14(6-7-14)11-4-2-1-3-5-11/h1-5,8-9,12H,6-7,15H2,(H2,16,20)(H,17,18,19).
What are the key properties of 5-[amino-[(Z)-aminodiazenyl]methyl]-N-(1-phenylcyclopropyl)pyrimidin-2-amine?
5-[amino-[(Z)-aminodiazenyl]methyl]-N-(1-phenylcyclopropyl)pyrimidin-2-amine has a molecular weight of 283.34 g/mol, XLogP of 1.86, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[amino-[(Z)-aminodiazenyl]methyl]-N-(1-phenylcyclopropyl)pyrimidin-2-amine is sourced from PubChem (CID 142425609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).