N-ethyl-2-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]pyrimidin-4-amine

C15H19FN6 — CID 165433124

IUPACN-ethyl-2-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]pyrimidin-4-amine
SMILESCCNc1ccnc(N2CCN(c3ncccc3F)CC2)n1
InChIInChI=1S/C15H19FN6/c1-2-17-13-5-7-19-15(20-13)22-10-8-21(9-11-22)14-12(16)4-3-6-18-14/h3-7H,2,8-11H2,1H3,(H,17,19,20)
InChIKeyHFYFWIPNGNBVMY-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.77
Rot. Bonds4

About N-ethyl-2-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]pyrimidin-4-amine

N-ethyl-2-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]pyrimidin-4-amine (PubChem CID 165433124) has the molecular formula C15H19FN6 and a molecular weight of 302.36 g/mol. Its IUPAC name is N-ethyl-2-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]pyrimidin-4-amine
PubChem CID165433124
Molecular FormulaC15H19FN6
Molecular Weight302.36 g/mol
Exact Mass302.17
IUPAC NameN-ethyl-2-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]pyrimidin-4-amine
SMILESCCNc1ccnc(N2CCN(c3ncccc3F)CC2)n1
InChIInChI=1S/C15H19FN6/c1-2-17-13-5-7-19-15(20-13)22-10-8-21(9-11-22)14-12(16)4-3-6-18-14/h3-7H,2,8-11H2,1H3,(H,17,19,20)
InChIKeyHFYFWIPNGNBVMY-UHFFFAOYSA-N
XLogP1.77
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]pyrimidin-4-amine?
The IUPAC name of N-ethyl-2-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]pyrimidin-4-amine (CID 165433124) is N-ethyl-2-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]pyrimidin-4-amine is CCNc1ccnc(N2CCN(c3ncccc3F)CC2)n1.
What is the InChIKey of N-ethyl-2-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]pyrimidin-4-amine?
The InChIKey is HFYFWIPNGNBVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN6/c1-2-17-13-5-7-19-15(20-13)22-10-8-21(9-11-22)14-12(16)4-3-6-18-14/h3-7H,2,8-11H2,1H3,(H,17,19,20).
What are the key properties of N-ethyl-2-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]pyrimidin-4-amine?
N-ethyl-2-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]pyrimidin-4-amine has a molecular weight of 302.36 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 165433124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).