4-cyclopropyl-6-[4-[(2,4-difluorophenyl)methyl]-3-methylpiperazin-1-yl]pyrimidine

C19H22F2N4 — CID 163348036

IUPAC4-cyclopropyl-6-[4-[(2,4-difluorophenyl)methyl]-3-methylpiperazin-1-yl]pyrimidine
SMILESCC1CN(c2cc(C3CC3)ncn2)CCN1Cc1ccc(F)cc1F
InChIInChI=1S/C19H22F2N4/c1-13-10-25(19-9-18(14-2-3-14)22-12-23-19)7-6-24(13)11-15-4-5-16(20)8-17(15)21/h4-5,8-9,12-14H,2-3,6-7,10-11H2,1H3
InChIKeySPUKHBQULACSGB-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.34
Rot. Bonds4

About 4-cyclopropyl-6-[4-[(2,4-difluorophenyl)methyl]-3-methylpiperazin-1-yl]pyrimidine

4-cyclopropyl-6-[4-[(2,4-difluorophenyl)methyl]-3-methylpiperazin-1-yl]pyrimidine (PubChem CID 163348036) has the molecular formula C19H22F2N4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 4-cyclopropyl-6-[4-[(2,4-difluorophenyl)methyl]-3-methylpiperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-cyclopropyl-6-[4-[(2,4-difluorophenyl)methyl]-3-methylpiperazin-1-yl]pyrimidine
PubChem CID163348036
Molecular FormulaC19H22F2N4
Molecular Weight344.41 g/mol
Exact Mass344.18
IUPAC Name4-cyclopropyl-6-[4-[(2,4-difluorophenyl)methyl]-3-methylpiperazin-1-yl]pyrimidine
SMILESCC1CN(c2cc(C3CC3)ncn2)CCN1Cc1ccc(F)cc1F
InChIInChI=1S/C19H22F2N4/c1-13-10-25(19-9-18(14-2-3-14)22-12-23-19)7-6-24(13)11-15-4-5-16(20)8-17(15)21/h4-5,8-9,12-14H,2-3,6-7,10-11H2,1H3
InChIKeySPUKHBQULACSGB-UHFFFAOYSA-N
XLogP3.34
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-cyclopropyl-6-[4-[(2,4-difluorophenyl)methyl]-3-methylpiperazin-1-yl]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-[(2,4-difluorophenyl)methyl]-3-methylpiperazin-1-yl]-5,6-dimethylpyrimidine
CID 163356408
4-[4-[(2,4-difluorophenyl)methyl]-3-methylpiperazin-1-yl]pyrido[2,3-d]pyrimidine
CID 163348402
7-[4-[(2,4-difluorophenyl)methyl]-3-methylpiperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 163348358
4-cyclopropyl-6-[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]pyrimidine
CID 163350112
1-[(2,4-difluorophenyl)methyl]-N,2-dimethylpiperidin-4-amine
CID 62228318
3-cyclopropyl-6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]pyridazine
CID 122279677
(2S)-1-[(2,4-difluorophenyl)methyl]-2-methylpiperazine
CID 82713388
4-cyclopropyl-6-[3-(methylsulfanylmethyl)piperidin-1-yl]pyrimidine
CID 72839959
5-(6-cyclobutylpyrimidin-4-yl)-2-(5-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 163352817
4-cyclopropyl-6-[4-(4-fluorophenoxy)piperidin-1-yl]pyrimidine
CID 70712024
4-chloro-6-[(3R)-4-ethyl-3-methylpiperazin-1-yl]pyrimidine
CID 124832471
4-cyclobutyl-6-(3-fluoropiperidin-1-yl)pyrimidine
CID 172880704

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-6-[4-[(2,4-difluorophenyl)methyl]-3-methylpiperazin-1-yl]pyrimidine?
The IUPAC name of 4-cyclopropyl-6-[4-[(2,4-difluorophenyl)methyl]-3-methylpiperazin-1-yl]pyrimidine (CID 163348036) is 4-cyclopropyl-6-[4-[(2,4-difluorophenyl)methyl]-3-methylpiperazin-1-yl]pyrimidine.
What is the SMILES notation for 4-cyclopropyl-6-[4-[(2,4-difluorophenyl)methyl]-3-methylpiperazin-1-yl]pyrimidine?
The canonical SMILES for 4-cyclopropyl-6-[4-[(2,4-difluorophenyl)methyl]-3-methylpiperazin-1-yl]pyrimidine is CC1CN(c2cc(C3CC3)ncn2)CCN1Cc1ccc(F)cc1F.
What is the InChIKey of 4-cyclopropyl-6-[4-[(2,4-difluorophenyl)methyl]-3-methylpiperazin-1-yl]pyrimidine?
The InChIKey is SPUKHBQULACSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N4/c1-13-10-25(19-9-18(14-2-3-14)22-12-23-19)7-6-24(13)11-15-4-5-16(20)8-17(15)21/h4-5,8-9,12-14H,2-3,6-7,10-11H2,1H3.
What are the key properties of 4-cyclopropyl-6-[4-[(2,4-difluorophenyl)methyl]-3-methylpiperazin-1-yl]pyrimidine?
4-cyclopropyl-6-[4-[(2,4-difluorophenyl)methyl]-3-methylpiperazin-1-yl]pyrimidine has a molecular weight of 344.41 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-6-[4-[(2,4-difluorophenyl)methyl]-3-methylpiperazin-1-yl]pyrimidine is sourced from PubChem (CID 163348036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).