2-[4-(cyclopropylmethyl)piperazin-1-yl]-5-fluoro-N-methylpyrimidin-4-amine

C13H20FN5 — CID 131943269

IUPAC2-[4-(cyclopropylmethyl)piperazin-1-yl]-5-fluoro-N-methylpyrimidin-4-amine
SMILESCNc1nc(N2CCN(CC3CC3)CC2)ncc1F
InChIInChI=1S/C13H20FN5/c1-15-12-11(14)8-16-13(17-12)19-6-4-18(5-7-19)9-10-2-3-10/h8,10H,2-7,9H2,1H3,(H,15,16,17)
InChIKeyKONTYEROUMGYGG-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.19
Rot. Bonds4

About 2-[4-(cyclopropylmethyl)piperazin-1-yl]-5-fluoro-N-methylpyrimidin-4-amine

2-[4-(cyclopropylmethyl)piperazin-1-yl]-5-fluoro-N-methylpyrimidin-4-amine (PubChem CID 131943269) has the molecular formula C13H20FN5 and a molecular weight of 265.34 g/mol. Its IUPAC name is 2-[4-(cyclopropylmethyl)piperazin-1-yl]-5-fluoro-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[4-(cyclopropylmethyl)piperazin-1-yl]-5-fluoro-N-methylpyrimidin-4-amine
PubChem CID131943269
Molecular FormulaC13H20FN5
Molecular Weight265.34 g/mol
Exact Mass265.17
IUPAC Name2-[4-(cyclopropylmethyl)piperazin-1-yl]-5-fluoro-N-methylpyrimidin-4-amine
SMILESCNc1nc(N2CCN(CC3CC3)CC2)ncc1F
InChIInChI=1S/C13H20FN5/c1-15-12-11(14)8-16-13(17-12)19-6-4-18(5-7-19)9-10-2-3-10/h8,10H,2-7,9H2,1H3,(H,15,16,17)
InChIKeyKONTYEROUMGYGG-UHFFFAOYSA-N
XLogP1.19
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Chloro-5-fluoro-4-(4-methylpiperazin-1-yl)pyrimidine
CID 1714310
5-Methyl-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 25130908
4-N-(cyclopropylmethyl)-6-N-[2-(dimethylamino)ethyl]pyrimidine-4,6-diamine
CID 57399829
N-butyl-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 58227143
4-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine
CID 58227388
4-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]-4-N-methyl-6-N-(2-methylpropyl)pyrimidine-2,4,6-triamine
CID 71681806
5-Fluoro-2-(piperazin-1-yl)pyrimidine
CID 10058158
5-Fluoro-2-(piperidin-1-yl)pyrimidin-4-amine
CID 745185
(2,2-Dimethyl-propyl)-(4-piperazin-1-yl-pyrimidin-2-yl)-amine
CID 58227381
5-fluoro-N-methyl-2-(pyrrolidin-1-yl)pyrimidin-4-amine
CID 5302486
Isobutyl-(4-piperazin-1-yl-pyrimidin-2-yl)-amine
CID 58227230
Cyclopropylmethyl-(4-piperazin-1-yl-pyrimidin-2-yl)-amine
CID 58227402

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropylmethyl)piperazin-1-yl]-5-fluoro-N-methylpyrimidin-4-amine?
The IUPAC name of 2-[4-(cyclopropylmethyl)piperazin-1-yl]-5-fluoro-N-methylpyrimidin-4-amine (CID 131943269) is 2-[4-(cyclopropylmethyl)piperazin-1-yl]-5-fluoro-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-[4-(cyclopropylmethyl)piperazin-1-yl]-5-fluoro-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-[4-(cyclopropylmethyl)piperazin-1-yl]-5-fluoro-N-methylpyrimidin-4-amine is CNc1nc(N2CCN(CC3CC3)CC2)ncc1F.
What is the InChIKey of 2-[4-(cyclopropylmethyl)piperazin-1-yl]-5-fluoro-N-methylpyrimidin-4-amine?
The InChIKey is KONTYEROUMGYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN5/c1-15-12-11(14)8-16-13(17-12)19-6-4-18(5-7-19)9-10-2-3-10/h8,10H,2-7,9H2,1H3,(H,15,16,17).
What are the key properties of 2-[4-(cyclopropylmethyl)piperazin-1-yl]-5-fluoro-N-methylpyrimidin-4-amine?
2-[4-(cyclopropylmethyl)piperazin-1-yl]-5-fluoro-N-methylpyrimidin-4-amine has a molecular weight of 265.34 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropylmethyl)piperazin-1-yl]-5-fluoro-N-methylpyrimidin-4-amine is sourced from PubChem (CID 131943269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).