6-[4-[1-(4-fluorophenyl)-2-piperidin-1-ylethyl]piperazin-1-yl]pyrimidin-4-amine

C21H29FN6 — CID 89444922

IUPAC6-[4-[1-(4-fluorophenyl)-2-piperidin-1-ylethyl]piperazin-1-yl]pyrimidin-4-amine
SMILESNc1cc(N2CCN(C(CN3CCCCC3)c3ccc(F)cc3)CC2)ncn1
InChIInChI=1S/C21H29FN6/c22-18-6-4-17(5-7-18)19(15-26-8-2-1-3-9-26)27-10-12-28(13-11-27)21-14-20(23)24-16-25-21/h4-7,14,16,19H,1-3,8-13,15H2,(H2,23,24,25)
InChIKeyYBTRLRWHXNZKMS-UHFFFAOYSA-N
MW384.50 g/mol
LogP2.55
Rot. Bonds5

About 6-[4-[1-(4-fluorophenyl)-2-piperidin-1-ylethyl]piperazin-1-yl]pyrimidin-4-amine

6-[4-[1-(4-fluorophenyl)-2-piperidin-1-ylethyl]piperazin-1-yl]pyrimidin-4-amine (PubChem CID 89444922) has the molecular formula C21H29FN6 and a molecular weight of 384.50 g/mol. Its IUPAC name is 6-[4-[1-(4-fluorophenyl)-2-piperidin-1-ylethyl]piperazin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[4-[1-(4-fluorophenyl)-2-piperidin-1-ylethyl]piperazin-1-yl]pyrimidin-4-amine
PubChem CID89444922
Molecular FormulaC21H29FN6
Molecular Weight384.50 g/mol
Exact Mass384.24
IUPAC Name6-[4-[1-(4-fluorophenyl)-2-piperidin-1-ylethyl]piperazin-1-yl]pyrimidin-4-amine
SMILESNc1cc(N2CCN(C(CN3CCCCC3)c3ccc(F)cc3)CC2)ncn1
InChIInChI=1S/C21H29FN6/c22-18-6-4-17(5-7-18)19(15-26-8-2-1-3-9-26)27-10-12-28(13-11-27)21-14-20(23)24-16-25-21/h4-7,14,16,19H,1-3,8-13,15H2,(H2,23,24,25)
InChIKeyYBTRLRWHXNZKMS-UHFFFAOYSA-N
XLogP2.55
TPSA61.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[4-[1-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]piperazin-1-yl]pyrimidin-4-amine
CID 89446612
4-[(1S)-1-[4-[6-amino-5-(4-fluorophenyl)pyrimidin-4-yl]piperazin-1-yl]-2-(azetidin-1-yl)ethyl]benzoic acid
CID 142798816
5-bromo-6-[4-[2-piperidin-1-yl-1-[4-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]pyrimidin-4-amine
CID 89442432
methyl 4-[(1S)-1-[4-[6-amino-5-(4-fluorophenyl)pyrimidin-4-yl]piperazin-1-yl]-2-(azetidin-1-yl)ethyl]benzoate
CID 89446656
6-[1-[4-[6-amino-5-(4-fluorophenyl)pyrimidin-4-yl]piperazin-1-yl]-2-(azetidin-1-yl)ethyl]-3H-1,3-benzothiazol-2-one
CID 89446627
2-(azepan-1-yl)-2-(4-fluorophenyl)ethanamine
CID 6484142
4-[(1R)-1-(4-fluorophenyl)-2-morpholin-4-ylethyl]morpholine
CID 95988041
6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine
CID 78929785
6-(4-propylpiperazin-1-yl)pyrimidin-4-amine
CID 78929729
6-[4-[2-(azetidin-1-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperazin-1-yl]-5-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-4-amine
CID 89446794
6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 78929760
6-(3-azaspiro[5.5]undecan-3-yl)pyrimidin-4-amine
CID 78929951

Frequently Asked Questions

What is the IUPAC name of 6-[4-[1-(4-fluorophenyl)-2-piperidin-1-ylethyl]piperazin-1-yl]pyrimidin-4-amine?
The IUPAC name of 6-[4-[1-(4-fluorophenyl)-2-piperidin-1-ylethyl]piperazin-1-yl]pyrimidin-4-amine (CID 89444922) is 6-[4-[1-(4-fluorophenyl)-2-piperidin-1-ylethyl]piperazin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-[4-[1-(4-fluorophenyl)-2-piperidin-1-ylethyl]piperazin-1-yl]pyrimidin-4-amine?
The canonical SMILES for 6-[4-[1-(4-fluorophenyl)-2-piperidin-1-ylethyl]piperazin-1-yl]pyrimidin-4-amine is Nc1cc(N2CCN(C(CN3CCCCC3)c3ccc(F)cc3)CC2)ncn1.
What is the InChIKey of 6-[4-[1-(4-fluorophenyl)-2-piperidin-1-ylethyl]piperazin-1-yl]pyrimidin-4-amine?
The InChIKey is YBTRLRWHXNZKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29FN6/c22-18-6-4-17(5-7-18)19(15-26-8-2-1-3-9-26)27-10-12-28(13-11-27)21-14-20(23)24-16-25-21/h4-7,14,16,19H,1-3,8-13,15H2,(H2,23,24,25).
What are the key properties of 6-[4-[1-(4-fluorophenyl)-2-piperidin-1-ylethyl]piperazin-1-yl]pyrimidin-4-amine?
6-[4-[1-(4-fluorophenyl)-2-piperidin-1-ylethyl]piperazin-1-yl]pyrimidin-4-amine has a molecular weight of 384.50 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[1-(4-fluorophenyl)-2-piperidin-1-ylethyl]piperazin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 89444922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).