5-fluoro-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine

C10H16FN5 — CID 66000367

IUPAC5-fluoro-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
SMILESCc1nc(N2CCN(C)CC2)nc(N)c1F
InChIInChI=1S/C10H16FN5/c1-7-8(11)9(12)14-10(13-7)16-5-3-15(2)4-6-16/h3-6H2,1-2H3,(H2,12,13,14)
InChIKeyOZZWKTPZHPWHOC-UHFFFAOYSA-N
MW225.27 g/mol
LogP0.26
Rot. Bonds1

About 5-fluoro-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine

5-fluoro-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 66000367) has the molecular formula C10H16FN5 and a molecular weight of 225.27 g/mol. Its IUPAC name is 5-fluoro-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID66000367
Molecular FormulaC10H16FN5
Molecular Weight225.27 g/mol
Exact Mass225.14
IUPAC Name5-fluoro-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
SMILESCc1nc(N2CCN(C)CC2)nc(N)c1F
InChIInChI=1S/C10H16FN5/c1-7-8(11)9(12)14-10(13-7)16-5-3-15(2)4-6-16/h3-6H2,1-2H3,(H2,12,13,14)
InChIKeyOZZWKTPZHPWHOC-UHFFFAOYSA-N
XLogP0.26
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of 5-fluoro-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine (CID 66000367) is 5-fluoro-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for 5-fluoro-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine is Cc1nc(N2CCN(C)CC2)nc(N)c1F.
What is the InChIKey of 5-fluoro-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is OZZWKTPZHPWHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN5/c1-7-8(11)9(12)14-10(13-7)16-5-3-15(2)4-6-16/h3-6H2,1-2H3,(H2,12,13,14).
What are the key properties of 5-fluoro-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
5-fluoro-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 225.27 g/mol, XLogP of 0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 66000367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).