(2R)-N-[(E)-1H-pyrimidin-2-ylidenemethyl]butan-2-amine

C9H15N3 — CID 89242240

IUPAC(2R)-N-[(E)-1H-pyrimidin-2-ylidenemethyl]butan-2-amine
SMILESCC[C@@H](C)N/C=C1/N=CC=CN1
InChIInChI=1S/C9H15N3/c1-3-8(2)12-7-9-10-5-4-6-11-9/h4-8,10,12H,3H2,1-2H3/b9-7+/t8-/m1/s1
InChIKeyLLTMNMKTQOSGSR-KGOFQHAKSA-N
MW165.24 g/mol
LogP1.36
Rot. Bonds3

About (2R)-N-[(E)-1H-pyrimidin-2-ylidenemethyl]butan-2-amine

(2R)-N-[(E)-1H-pyrimidin-2-ylidenemethyl]butan-2-amine (PubChem CID 89242240) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is (2R)-N-[(E)-1H-pyrimidin-2-ylidenemethyl]butan-2-amine.

Molecular Properties

Compound Name(2R)-N-[(E)-1H-pyrimidin-2-ylidenemethyl]butan-2-amine
PubChem CID89242240
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name(2R)-N-[(E)-1H-pyrimidin-2-ylidenemethyl]butan-2-amine
SMILESCC[C@@H](C)N/C=C1/N=CC=CN1
InChIInChI=1S/C9H15N3/c1-3-8(2)12-7-9-10-5-4-6-11-9/h4-8,10,12H,3H2,1-2H3/b9-7+/t8-/m1/s1
InChIKeyLLTMNMKTQOSGSR-KGOFQHAKSA-N
XLogP1.36
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(E)-1H-pyrimidin-2-ylidenemethyl]butan-2-amine?
The IUPAC name of (2R)-N-[(E)-1H-pyrimidin-2-ylidenemethyl]butan-2-amine (CID 89242240) is (2R)-N-[(E)-1H-pyrimidin-2-ylidenemethyl]butan-2-amine.
What is the SMILES notation for (2R)-N-[(E)-1H-pyrimidin-2-ylidenemethyl]butan-2-amine?
The canonical SMILES for (2R)-N-[(E)-1H-pyrimidin-2-ylidenemethyl]butan-2-amine is CC[C@@H](C)N/C=C1/N=CC=CN1.
What is the InChIKey of (2R)-N-[(E)-1H-pyrimidin-2-ylidenemethyl]butan-2-amine?
The InChIKey is LLTMNMKTQOSGSR-KGOFQHAKSA-N. The full InChI is InChI=1S/C9H15N3/c1-3-8(2)12-7-9-10-5-4-6-11-9/h4-8,10,12H,3H2,1-2H3/b9-7+/t8-/m1/s1.
What are the key properties of (2R)-N-[(E)-1H-pyrimidin-2-ylidenemethyl]butan-2-amine?
(2R)-N-[(E)-1H-pyrimidin-2-ylidenemethyl]butan-2-amine has a molecular weight of 165.24 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(E)-1H-pyrimidin-2-ylidenemethyl]butan-2-amine is sourced from PubChem (CID 89242240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).