5-(4-methylquinazolin-6-yl)-4-(4-phosphanylphenyl)pyrimidin-2-amine

C19H16N5P — CID 166811940

IUPAC5-(4-methylquinazolin-6-yl)-4-(4-phosphanylphenyl)pyrimidin-2-amine
SMILESCc1ncnc2ccc(-c3cnc(N)nc3-c3ccc(P)cc3)cc12
InChIInChI=1S/C19H16N5P/c1-11-15-8-13(4-7-17(15)23-10-22-11)16-9-21-19(20)24-18(16)12-2-5-14(25)6-3-12/h2-10H,25H2,1H3,(H2,20,21,24)
InChIKeyOEQTXYYSIMMINP-UHFFFAOYSA-N
MW345.35 g/mol
LogP3.14
Rot. Bonds2

About 5-(4-methylquinazolin-6-yl)-4-(4-phosphanylphenyl)pyrimidin-2-amine

5-(4-methylquinazolin-6-yl)-4-(4-phosphanylphenyl)pyrimidin-2-amine (PubChem CID 166811940) has the molecular formula C19H16N5P and a molecular weight of 345.35 g/mol. Its IUPAC name is 5-(4-methylquinazolin-6-yl)-4-(4-phosphanylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-(4-methylquinazolin-6-yl)-4-(4-phosphanylphenyl)pyrimidin-2-amine
PubChem CID166811940
Molecular FormulaC19H16N5P
Molecular Weight345.35 g/mol
Exact Mass345.11
IUPAC Name5-(4-methylquinazolin-6-yl)-4-(4-phosphanylphenyl)pyrimidin-2-amine
SMILESCc1ncnc2ccc(-c3cnc(N)nc3-c3ccc(P)cc3)cc12
InChIInChI=1S/C19H16N5P/c1-11-15-8-13(4-7-17(15)23-10-22-11)16-9-21-19(20)24-18(16)12-2-5-14(25)6-3-12/h2-10H,25H2,1H3,(H2,20,21,24)
InChIKeyOEQTXYYSIMMINP-UHFFFAOYSA-N
XLogP3.14
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

Quinazoline
CID 9210
Ngd-8243
CID 11247522
N-benzyl-2-(pyridin-3-yl)quinazolin-4-amine
CID 667555
Senexin A
CID 56927063
Quinazolin-2-amine
CID 519332
2,4,7,9-Tetramethylbenzo[b][1,8]naphthyridin-5-amine
CID 765471
4-Phenyl-2-(piperazin-1-yl)quinazoline
CID 3763388
Sri-9439
CID 446752
N-(6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yl)quinolin-7-amine
CID 10248318
2-(6-methylpyridin-2-yl)-N-(pyridin-4-yl)quinazolin-4-amine
CID 10267580
N-benzyl-2-pyridin-4-ylquinazolin-4-amine
CID 921562
N-(4-methylphenyl)-4-quinolin-4-ylpyrimidin-2-amine
CID 44820374

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylquinazolin-6-yl)-4-(4-phosphanylphenyl)pyrimidin-2-amine?
The IUPAC name of 5-(4-methylquinazolin-6-yl)-4-(4-phosphanylphenyl)pyrimidin-2-amine (CID 166811940) is 5-(4-methylquinazolin-6-yl)-4-(4-phosphanylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 5-(4-methylquinazolin-6-yl)-4-(4-phosphanylphenyl)pyrimidin-2-amine?
The canonical SMILES for 5-(4-methylquinazolin-6-yl)-4-(4-phosphanylphenyl)pyrimidin-2-amine is Cc1ncnc2ccc(-c3cnc(N)nc3-c3ccc(P)cc3)cc12.
What is the InChIKey of 5-(4-methylquinazolin-6-yl)-4-(4-phosphanylphenyl)pyrimidin-2-amine?
The InChIKey is OEQTXYYSIMMINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N5P/c1-11-15-8-13(4-7-17(15)23-10-22-11)16-9-21-19(20)24-18(16)12-2-5-14(25)6-3-12/h2-10H,25H2,1H3,(H2,20,21,24).
What are the key properties of 5-(4-methylquinazolin-6-yl)-4-(4-phosphanylphenyl)pyrimidin-2-amine?
5-(4-methylquinazolin-6-yl)-4-(4-phosphanylphenyl)pyrimidin-2-amine has a molecular weight of 345.35 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylquinazolin-6-yl)-4-(4-phosphanylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 166811940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).