6-(fluoromethyl)-N-[(3S)-heptan-3-yl]pyrimidin-4-amine

C12H20FN3 — CID 70858735

IUPAC6-(fluoromethyl)-N-[(3S)-heptan-3-yl]pyrimidin-4-amine
SMILESCCCC[C@H](CC)Nc1cc(CF)ncn1
InChIInChI=1S/C12H20FN3/c1-3-5-6-10(4-2)16-12-7-11(8-13)14-9-15-12/h7,9-10H,3-6,8H2,1-2H3,(H,14,15,16)/t10-/m0/s1
InChIKeyVBKFDPHNPCVOHC-JTQLQIEISA-N
MW225.31 g/mol
LogP3.33
Rot. Bonds7

About 6-(fluoromethyl)-N-[(3S)-heptan-3-yl]pyrimidin-4-amine

6-(fluoromethyl)-N-[(3S)-heptan-3-yl]pyrimidin-4-amine (PubChem CID 70858735) has the molecular formula C12H20FN3 and a molecular weight of 225.31 g/mol. Its IUPAC name is 6-(fluoromethyl)-N-[(3S)-heptan-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(fluoromethyl)-N-[(3S)-heptan-3-yl]pyrimidin-4-amine
PubChem CID70858735
Molecular FormulaC12H20FN3
Molecular Weight225.31 g/mol
Exact Mass225.16
IUPAC Name6-(fluoromethyl)-N-[(3S)-heptan-3-yl]pyrimidin-4-amine
SMILESCCCC[C@H](CC)Nc1cc(CF)ncn1
InChIInChI=1S/C12H20FN3/c1-3-5-6-10(4-2)16-12-7-11(8-13)14-9-15-12/h7,9-10H,3-6,8H2,1-2H3,(H,14,15,16)/t10-/m0/s1
InChIKeyVBKFDPHNPCVOHC-JTQLQIEISA-N
XLogP3.33
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(fluoromethyl)-N-[(3S)-heptan-3-yl]pyrimidin-4-amine?
The IUPAC name of 6-(fluoromethyl)-N-[(3S)-heptan-3-yl]pyrimidin-4-amine (CID 70858735) is 6-(fluoromethyl)-N-[(3S)-heptan-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-(fluoromethyl)-N-[(3S)-heptan-3-yl]pyrimidin-4-amine?
The canonical SMILES for 6-(fluoromethyl)-N-[(3S)-heptan-3-yl]pyrimidin-4-amine is CCCC[C@H](CC)Nc1cc(CF)ncn1.
What is the InChIKey of 6-(fluoromethyl)-N-[(3S)-heptan-3-yl]pyrimidin-4-amine?
The InChIKey is VBKFDPHNPCVOHC-JTQLQIEISA-N. The full InChI is InChI=1S/C12H20FN3/c1-3-5-6-10(4-2)16-12-7-11(8-13)14-9-15-12/h7,9-10H,3-6,8H2,1-2H3,(H,14,15,16)/t10-/m0/s1.
What are the key properties of 6-(fluoromethyl)-N-[(3S)-heptan-3-yl]pyrimidin-4-amine?
6-(fluoromethyl)-N-[(3S)-heptan-3-yl]pyrimidin-4-amine has a molecular weight of 225.31 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(fluoromethyl)-N-[(3S)-heptan-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 70858735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).