(E,2R)-N-methyl-5-pyrimidin-5-ylpent-4-en-2-amine

C10H15N3 — CID 10329870

IUPAC(E,2R)-N-methyl-5-pyrimidin-5-ylpent-4-en-2-amine
SMILESCN[C@H](C)C/C=C/c1cncnc1
InChIInChI=1S/C10H15N3/c1-9(11-2)4-3-5-10-6-12-8-13-7-10/h3,5-9,11H,4H2,1-2H3/b5-3+/t9-/m1/s1
InChIKeyVZNTWLIIJWUCEP-HYYFJVDXSA-N
MW177.25 g/mol
LogP1.49
Rot. Bonds4

About (E,2R)-N-methyl-5-pyrimidin-5-ylpent-4-en-2-amine

(E,2R)-N-methyl-5-pyrimidin-5-ylpent-4-en-2-amine (PubChem CID 10329870) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is (E,2R)-N-methyl-5-pyrimidin-5-ylpent-4-en-2-amine.

Molecular Properties

Compound Name(E,2R)-N-methyl-5-pyrimidin-5-ylpent-4-en-2-amine
PubChem CID10329870
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name(E,2R)-N-methyl-5-pyrimidin-5-ylpent-4-en-2-amine
SMILESCN[C@H](C)C/C=C/c1cncnc1
InChIInChI=1S/C10H15N3/c1-9(11-2)4-3-5-10-6-12-8-13-7-10/h3,5-9,11H,4H2,1-2H3/b5-3+/t9-/m1/s1
InChIKeyVZNTWLIIJWUCEP-HYYFJVDXSA-N
XLogP1.49
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E,2R)-N-methyl-5-pyrimidin-5-ylpent-4-en-2-amine?
The IUPAC name of (E,2R)-N-methyl-5-pyrimidin-5-ylpent-4-en-2-amine (CID 10329870) is (E,2R)-N-methyl-5-pyrimidin-5-ylpent-4-en-2-amine.
What is the SMILES notation for (E,2R)-N-methyl-5-pyrimidin-5-ylpent-4-en-2-amine?
The canonical SMILES for (E,2R)-N-methyl-5-pyrimidin-5-ylpent-4-en-2-amine is CN[C@H](C)C/C=C/c1cncnc1.
What is the InChIKey of (E,2R)-N-methyl-5-pyrimidin-5-ylpent-4-en-2-amine?
The InChIKey is VZNTWLIIJWUCEP-HYYFJVDXSA-N. The full InChI is InChI=1S/C10H15N3/c1-9(11-2)4-3-5-10-6-12-8-13-7-10/h3,5-9,11H,4H2,1-2H3/b5-3+/t9-/m1/s1.
What are the key properties of (E,2R)-N-methyl-5-pyrimidin-5-ylpent-4-en-2-amine?
(E,2R)-N-methyl-5-pyrimidin-5-ylpent-4-en-2-amine has a molecular weight of 177.25 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R)-N-methyl-5-pyrimidin-5-ylpent-4-en-2-amine is sourced from PubChem (CID 10329870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).