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

Azd-3839
CID 46202416
SB-220025
CID 5164
Msx-122
CID 11687907
4-Phenylpyrimidine
CID 18923
4-(1-(cyclopropylmethyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl)pyrimidin-2-amine
CID 5172
4-[(E)-2-phenylethenyl]pyrimidin-2-amine
CID 46911068
2-Amino-4-phenylpyrimidine
CID 598777
Amprolium ion
CID 2178
N-benzyl-2-(pyridin-3-yl)quinazolin-4-amine
CID 667555
VK-19911
CID 9797240
(4-tert-Butyl-phenyl)-[7-(3-trifluoromethyl-pyridin-2-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl]-amine
CID 24782891
Pik-iii
CID 67983123

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).