1-fluoro-6-piperazin-1-yl-2H-pyrimidin-2-amine

C8H14FN5 — CID 156761510

IUPAC1-fluoro-6-piperazin-1-yl-2H-pyrimidin-2-amine
SMILESNC1N=CC=C(N2CCNCC2)N1F
InChIInChI=1S/C8H14FN5/c9-14-7(1-2-12-8(14)10)13-5-3-11-4-6-13/h1-2,8,11H,3-6,10H2
InChIKeyZSOMZOYXAKNDBM-UHFFFAOYSA-N
MW199.23 g/mol
LogP-0.75
Rot. Bonds1

About 1-fluoro-6-piperazin-1-yl-2H-pyrimidin-2-amine

1-fluoro-6-piperazin-1-yl-2H-pyrimidin-2-amine (PubChem CID 156761510) has the molecular formula C8H14FN5 and a molecular weight of 199.23 g/mol. Its IUPAC name is 1-fluoro-6-piperazin-1-yl-2H-pyrimidin-2-amine.

Molecular Properties

Compound Name1-fluoro-6-piperazin-1-yl-2H-pyrimidin-2-amine
PubChem CID156761510
Molecular FormulaC8H14FN5
Molecular Weight199.23 g/mol
Exact Mass199.12
IUPAC Name1-fluoro-6-piperazin-1-yl-2H-pyrimidin-2-amine
SMILESNC1N=CC=C(N2CCNCC2)N1F
InChIInChI=1S/C8H14FN5/c9-14-7(1-2-12-8(14)10)13-5-3-11-4-6-13/h1-2,8,11H,3-6,10H2
InChIKeyZSOMZOYXAKNDBM-UHFFFAOYSA-N
XLogP-0.75
TPSA56.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

2-(1,3-Diazinan-2-yl)-1,2-dihydropyrimidine
CID 5232770
4-(Piperazin-1-yl)-1,2-dihydropyrimidin-2-one
CID 20437724
2-piperazin-1-yl-2H-pyrimidine-1-carbonitrile
CID 20455439
2-(4-Methylpiperazin-1-yl)-1,2-dihydropyrimidine
CID 22328744
2-chloro-6-piperazin-1-yl-1H-pyrimidin-2-amine
CID 67787370
(Z)-3-(1-piperazin-1-ylethenylimino)prop-1-en-1-amine
CID 70259653
1-piperazin-2-yl-2H-pyrimidine
CID 140095537
Ethane;2-piperazin-1-yl-1,2-dihydropyrimidine
CID 141777158
2-Piperazin-1-yl-1,2-dihydropyrimidine
CID 141777159
2-N,2-N,6-N,6-N-tetraethyl-2-piperazin-1-yl-1H-pyrimidine-2,6-diamine
CID 142642607
(Z)-N-(1-piperazin-1-ylethenyl)prop-2-en-1-imine
CID 143834887
2-(2-aminoethyl)-6-N-(2-piperidin-1-ylethyl)-1H-pyrimidine-2,6-diamine
CID 153906988

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-6-piperazin-1-yl-2H-pyrimidin-2-amine?
The IUPAC name of 1-fluoro-6-piperazin-1-yl-2H-pyrimidin-2-amine (CID 156761510) is 1-fluoro-6-piperazin-1-yl-2H-pyrimidin-2-amine.
What is the SMILES notation for 1-fluoro-6-piperazin-1-yl-2H-pyrimidin-2-amine?
The canonical SMILES for 1-fluoro-6-piperazin-1-yl-2H-pyrimidin-2-amine is NC1N=CC=C(N2CCNCC2)N1F.
What is the InChIKey of 1-fluoro-6-piperazin-1-yl-2H-pyrimidin-2-amine?
The InChIKey is ZSOMZOYXAKNDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FN5/c9-14-7(1-2-12-8(14)10)13-5-3-11-4-6-13/h1-2,8,11H,3-6,10H2.
What are the key properties of 1-fluoro-6-piperazin-1-yl-2H-pyrimidin-2-amine?
1-fluoro-6-piperazin-1-yl-2H-pyrimidin-2-amine has a molecular weight of 199.23 g/mol, XLogP of -0.75, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-6-piperazin-1-yl-2H-pyrimidin-2-amine is sourced from PubChem (CID 156761510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).