N'-[5-[2-(3-cyclopropylphenyl)-3-pyridinyl]pyrimidin-2-yl]methanimidamide

C19H17N5 — CID 144602381

IUPACN'-[5-[2-(3-cyclopropylphenyl)-3-pyridinyl]pyrimidin-2-yl]methanimidamide
SMILESN/C=N\c1ncc(-c2cccnc2-c2cccc(C3CC3)c2)cn1
InChIInChI=1S/C19H17N5/c20-12-24-19-22-10-16(11-23-19)17-5-2-8-21-18(17)15-4-1-3-14(9-15)13-6-7-13/h1-5,8-13H,6-7H2,(H2,20,22,23,24)
InChIKeyURRDBBWUWPMWTG-UHFFFAOYSA-N
MW315.38 g/mol
LogP3.70
Rot. Bonds4

About N'-[5-[2-(3-cyclopropylphenyl)-3-pyridinyl]pyrimidin-2-yl]methanimidamide

N'-[5-[2-(3-cyclopropylphenyl)-3-pyridinyl]pyrimidin-2-yl]methanimidamide (PubChem CID 144602381) has the molecular formula C19H17N5 and a molecular weight of 315.38 g/mol. Its IUPAC name is N'-[5-[2-(3-cyclopropylphenyl)-3-pyridinyl]pyrimidin-2-yl]methanimidamide.

Molecular Properties

Compound NameN'-[5-[2-(3-cyclopropylphenyl)-3-pyridinyl]pyrimidin-2-yl]methanimidamide
PubChem CID144602381
Molecular FormulaC19H17N5
Molecular Weight315.38 g/mol
Exact Mass315.15
IUPAC NameN'-[5-[2-(3-cyclopropylphenyl)-3-pyridinyl]pyrimidin-2-yl]methanimidamide
SMILESN/C=N\c1ncc(-c2cccnc2-c2cccc(C3CC3)c2)cn1
InChIInChI=1S/C19H17N5/c20-12-24-19-22-10-16(11-23-19)17-5-2-8-21-18(17)15-4-1-3-14(9-15)13-6-7-13/h1-5,8-13H,6-7H2,(H2,20,22,23,24)
InChIKeyURRDBBWUWPMWTG-UHFFFAOYSA-N
XLogP3.70
TPSA77.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

5-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1H-pyrazolo[3,4-b]pyridine
CID 90095575
6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1-methylbenzimidazole
CID 90095898
2-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1,6-naphthyridine
CID 90095866
3-(3-cyclobutylphenyl)pyridin-2-amine
CID 114605099
4-[6-[2-(3-cyclopropylphenyl)-3-pyridinyl]quinazolin-4-yl]morpholine
CID 90095353
3-(3-cyclobutylphenyl)-1H-pyrazine-2-thione
CID 106522498
1,3-bis(3-cyclopentylphenyl)-2-methylbenzene
CID 162497484
2-(3-piperidin-4-ylphenyl)pyrimidine
CID 91370651
9-cyclopropylpyrido[3,2-b]phenazine-5,12-dione
CID 155690252
5-(3-cyclopropylphenyl)-3-propan-2-ylimidazol-4-amine
CID 79980676
4-(3-cyclopropylphenyl)-2-methyl-1,3-thiazol-5-amine
CID 79980121
4-(3-cyclopentylphenyl)-1,2-oxazol-5-amine
CID 117329061

Frequently Asked Questions

What is the IUPAC name of N'-[5-[2-(3-cyclopropylphenyl)-3-pyridinyl]pyrimidin-2-yl]methanimidamide?
The IUPAC name of N'-[5-[2-(3-cyclopropylphenyl)-3-pyridinyl]pyrimidin-2-yl]methanimidamide (CID 144602381) is N'-[5-[2-(3-cyclopropylphenyl)-3-pyridinyl]pyrimidin-2-yl]methanimidamide.
What is the SMILES notation for N'-[5-[2-(3-cyclopropylphenyl)-3-pyridinyl]pyrimidin-2-yl]methanimidamide?
The canonical SMILES for N'-[5-[2-(3-cyclopropylphenyl)-3-pyridinyl]pyrimidin-2-yl]methanimidamide is N/C=N\c1ncc(-c2cccnc2-c2cccc(C3CC3)c2)cn1.
What is the InChIKey of N'-[5-[2-(3-cyclopropylphenyl)-3-pyridinyl]pyrimidin-2-yl]methanimidamide?
The InChIKey is URRDBBWUWPMWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5/c20-12-24-19-22-10-16(11-23-19)17-5-2-8-21-18(17)15-4-1-3-14(9-15)13-6-7-13/h1-5,8-13H,6-7H2,(H2,20,22,23,24).
What are the key properties of N'-[5-[2-(3-cyclopropylphenyl)-3-pyridinyl]pyrimidin-2-yl]methanimidamide?
N'-[5-[2-(3-cyclopropylphenyl)-3-pyridinyl]pyrimidin-2-yl]methanimidamide has a molecular weight of 315.38 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-[2-(3-cyclopropylphenyl)-3-pyridinyl]pyrimidin-2-yl]methanimidamide is sourced from PubChem (CID 144602381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).