N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-pyrimidin-2-ylaniline

C14H15N5 — CID 22493289

IUPACN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-pyrimidin-2-ylaniline
SMILESc1cnc(-c2ccccc2NCC2=NCCN2)nc1
InChIInChI=1S/C14H15N5/c1-2-5-12(19-10-13-15-8-9-16-13)11(4-1)14-17-6-3-7-18-14/h1-7,19H,8-10H2,(H,15,16)
InChIKeyCMDSTJSCXRZEFV-UHFFFAOYSA-N
MW253.31 g/mol
LogP1.56
Rot. Bonds4

About N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-pyrimidin-2-ylaniline

N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-pyrimidin-2-ylaniline (PubChem CID 22493289) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-pyrimidin-2-ylaniline.

Molecular Properties

Compound NameN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-pyrimidin-2-ylaniline
PubChem CID22493289
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC NameN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-pyrimidin-2-ylaniline
SMILESc1cnc(-c2ccccc2NCC2=NCCN2)nc1
InChIInChI=1S/C14H15N5/c1-2-5-12(19-10-13-15-8-9-16-13)11(4-1)14-17-6-3-7-18-14/h1-7,19H,8-10H2,(H,15,16)
InChIKeyCMDSTJSCXRZEFV-UHFFFAOYSA-N
XLogP1.56
TPSA62.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-pyrimidin-2-ylaniline?
The IUPAC name of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-pyrimidin-2-ylaniline (CID 22493289) is N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-pyrimidin-2-ylaniline.
What is the SMILES notation for N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-pyrimidin-2-ylaniline?
The canonical SMILES for N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-pyrimidin-2-ylaniline is c1cnc(-c2ccccc2NCC2=NCCN2)nc1.
What is the InChIKey of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-pyrimidin-2-ylaniline?
The InChIKey is CMDSTJSCXRZEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c1-2-5-12(19-10-13-15-8-9-16-13)11(4-1)14-17-6-3-7-18-14/h1-7,19H,8-10H2,(H,15,16).
What are the key properties of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-pyrimidin-2-ylaniline?
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-pyrimidin-2-ylaniline has a molecular weight of 253.31 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-pyrimidin-2-ylaniline is sourced from PubChem (CID 22493289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).