4-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-2-amine

C15H20FN7 — CID 154883377

IUPAC4-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-2-amine
SMILESCc1cc(N2CCN(c3ncncc3F)CC2)nc(N(C)C)n1
InChIInChI=1S/C15H20FN7/c1-11-8-13(20-15(19-11)21(2)3)22-4-6-23(7-5-22)14-12(16)9-17-10-18-14/h8-10H,4-7H2,1-3H3
InChIKeyQBKLHBKZTRXVCS-UHFFFAOYSA-N
MW317.37 g/mol
LogP1.11
Rot. Bonds3

About 4-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-2-amine

4-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-2-amine (PubChem CID 154883377) has the molecular formula C15H20FN7 and a molecular weight of 317.37 g/mol. Its IUPAC name is 4-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-2-amine
PubChem CID154883377
Molecular FormulaC15H20FN7
Molecular Weight317.37 g/mol
Exact Mass317.18
IUPAC Name4-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-2-amine
SMILESCc1cc(N2CCN(c3ncncc3F)CC2)nc(N(C)C)n1
InChIInChI=1S/C15H20FN7/c1-11-8-13(20-15(19-11)21(2)3)22-4-6-23(7-5-22)14-12(16)9-17-10-18-14/h8-10H,4-7H2,1-3H3
InChIKeyQBKLHBKZTRXVCS-UHFFFAOYSA-N
XLogP1.11
TPSA61.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-2-amine
CID 146078208
N,N,4-trimethyl-6-[4-(5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]pyrimidin-2-amine
CID 154883425
N,N,4-trimethyl-6-[4-(9-methylpurin-6-yl)piperazin-1-yl]pyrimidin-2-amine
CID 155976256
N,N,4-trimethyl-6-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)pyrimidin-2-amine
CID 155942605
N,N,4-trimethyl-6-[4-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-amine
CID 155981603
4-(4-isoquinolin-1-ylpiperazin-1-yl)-N,N,6-trimethylpyrimidin-2-amine
CID 165433962
4-tert-butyl-2-cyclopropyl-6-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]pyrimidine
CID 154882623
4,6-dimethyl-2-[4-(5-methylpyrimidin-4-yl)piperazin-1-yl]pyrimidine
CID 139023232
4-methyl-6-[4-(5-methylpyrimidin-4-yl)piperazin-1-yl]pyrimidine
CID 155975470
N,N,4-trimethyl-6-[4-(oxan-4-ylmethyl)piperazin-1-yl]pyrimidin-2-amine
CID 165431760
N,N,4-trimethyl-6-[4-[(2-methylpyrazol-3-yl)methyl]piperazin-1-yl]pyrimidin-2-amine
CID 166604642
8-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]imidazo[1,2-a]pyrazine
CID 166605053

Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-2-amine?
The IUPAC name of 4-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-2-amine (CID 154883377) is 4-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-2-amine.
What is the SMILES notation for 4-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-2-amine?
The canonical SMILES for 4-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-2-amine is Cc1cc(N2CCN(c3ncncc3F)CC2)nc(N(C)C)n1.
What is the InChIKey of 4-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-2-amine?
The InChIKey is QBKLHBKZTRXVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN7/c1-11-8-13(20-15(19-11)21(2)3)22-4-6-23(7-5-22)14-12(16)9-17-10-18-14/h8-10H,4-7H2,1-3H3.
What are the key properties of 4-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-2-amine?
4-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-2-amine has a molecular weight of 317.37 g/mol, XLogP of 1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-2-amine is sourced from PubChem (CID 154883377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).