N-[(Z)-2,3-dihydroinden-1-ylideneamino]pyrimidin-2-amine

C13H12N4 — CID 88805800

IUPACN-[(Z)-2,3-dihydroinden-1-ylideneamino]pyrimidin-2-amine
SMILESc1cnc(N/N=C2/CCc3ccccc32)nc1
InChIInChI=1S/C13H12N4/c1-2-5-11-10(4-1)6-7-12(11)16-17-13-14-8-3-9-15-13/h1-5,8-9H,6-7H2,(H,14,15,17)/b16-12-
InChIKeyBQFKVSQTMWDHNP-VBKFSLOCSA-N
MW224.27 g/mol
LogP2.24
Rot. Bonds2

About N-[(Z)-2,3-dihydroinden-1-ylideneamino]pyrimidin-2-amine

N-[(Z)-2,3-dihydroinden-1-ylideneamino]pyrimidin-2-amine (PubChem CID 88805800) has the molecular formula C13H12N4 and a molecular weight of 224.27 g/mol. Its IUPAC name is N-[(Z)-2,3-dihydroinden-1-ylideneamino]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(Z)-2,3-dihydroinden-1-ylideneamino]pyrimidin-2-amine
PubChem CID88805800
Molecular FormulaC13H12N4
Molecular Weight224.27 g/mol
Exact Mass224.11
IUPAC NameN-[(Z)-2,3-dihydroinden-1-ylideneamino]pyrimidin-2-amine
SMILESc1cnc(N/N=C2/CCc3ccccc32)nc1
InChIInChI=1S/C13H12N4/c1-2-5-11-10(4-1)6-7-12(11)16-17-13-14-8-3-9-15-13/h1-5,8-9H,6-7H2,(H,14,15,17)/b16-12-
InChIKeyBQFKVSQTMWDHNP-VBKFSLOCSA-N
XLogP2.24
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 N-[(Z)-2,3-dihydroinden-1-ylideneamino]pyrimidin-2-amine?
The IUPAC name of N-[(Z)-2,3-dihydroinden-1-ylideneamino]pyrimidin-2-amine (CID 88805800) is N-[(Z)-2,3-dihydroinden-1-ylideneamino]pyrimidin-2-amine.
What is the SMILES notation for N-[(Z)-2,3-dihydroinden-1-ylideneamino]pyrimidin-2-amine?
The canonical SMILES for N-[(Z)-2,3-dihydroinden-1-ylideneamino]pyrimidin-2-amine is c1cnc(N/N=C2/CCc3ccccc32)nc1.
What is the InChIKey of N-[(Z)-2,3-dihydroinden-1-ylideneamino]pyrimidin-2-amine?
The InChIKey is BQFKVSQTMWDHNP-VBKFSLOCSA-N. The full InChI is InChI=1S/C13H12N4/c1-2-5-11-10(4-1)6-7-12(11)16-17-13-14-8-3-9-15-13/h1-5,8-9H,6-7H2,(H,14,15,17)/b16-12-.
What are the key properties of N-[(Z)-2,3-dihydroinden-1-ylideneamino]pyrimidin-2-amine?
N-[(Z)-2,3-dihydroinden-1-ylideneamino]pyrimidin-2-amine has a molecular weight of 224.27 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2,3-dihydroinden-1-ylideneamino]pyrimidin-2-amine is sourced from PubChem (CID 88805800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).