(4R)-6-methyl-2-[(E)-pent-2-en-3-yl]-4-prop-2-enyl-1,4-dihydropyrimidine

C13H20N2 — CID 129208626

IUPAC(4R)-6-methyl-2-[(E)-pent-2-en-3-yl]-4-prop-2-enyl-1,4-dihydropyrimidine
SMILESC=CC[C@@H]1C=C(C)NC(/C(=C/C)CC)=N1
InChIInChI=1S/C13H20N2/c1-5-8-12-9-10(4)14-13(15-12)11(6-2)7-3/h5-6,9,12H,1,7-8H2,2-4H3,(H,14,15)/b11-6+/t12-/m1/s1
InChIKeyLIWJPXOSQSZOTP-IGEMTJHASA-N
MW204.32 g/mol
LogP3.19
Rot. Bonds4

About (4R)-6-methyl-2-[(E)-pent-2-en-3-yl]-4-prop-2-enyl-1,4-dihydropyrimidine

(4R)-6-methyl-2-[(E)-pent-2-en-3-yl]-4-prop-2-enyl-1,4-dihydropyrimidine (PubChem CID 129208626) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is (4R)-6-methyl-2-[(E)-pent-2-en-3-yl]-4-prop-2-enyl-1,4-dihydropyrimidine.

Molecular Properties

Compound Name(4R)-6-methyl-2-[(E)-pent-2-en-3-yl]-4-prop-2-enyl-1,4-dihydropyrimidine
PubChem CID129208626
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name(4R)-6-methyl-2-[(E)-pent-2-en-3-yl]-4-prop-2-enyl-1,4-dihydropyrimidine
SMILESC=CC[C@@H]1C=C(C)NC(/C(=C/C)CC)=N1
InChIInChI=1S/C13H20N2/c1-5-8-12-9-10(4)14-13(15-12)11(6-2)7-3/h5-6,9,12H,1,7-8H2,2-4H3,(H,14,15)/b11-6+/t12-/m1/s1
InChIKeyLIWJPXOSQSZOTP-IGEMTJHASA-N
XLogP3.19
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-6-methyl-2-[(E)-pent-2-en-3-yl]-4-prop-2-enyl-1,4-dihydropyrimidine?
The IUPAC name of (4R)-6-methyl-2-[(E)-pent-2-en-3-yl]-4-prop-2-enyl-1,4-dihydropyrimidine (CID 129208626) is (4R)-6-methyl-2-[(E)-pent-2-en-3-yl]-4-prop-2-enyl-1,4-dihydropyrimidine.
What is the SMILES notation for (4R)-6-methyl-2-[(E)-pent-2-en-3-yl]-4-prop-2-enyl-1,4-dihydropyrimidine?
The canonical SMILES for (4R)-6-methyl-2-[(E)-pent-2-en-3-yl]-4-prop-2-enyl-1,4-dihydropyrimidine is C=CC[C@@H]1C=C(C)NC(/C(=C/C)CC)=N1.
What is the InChIKey of (4R)-6-methyl-2-[(E)-pent-2-en-3-yl]-4-prop-2-enyl-1,4-dihydropyrimidine?
The InChIKey is LIWJPXOSQSZOTP-IGEMTJHASA-N. The full InChI is InChI=1S/C13H20N2/c1-5-8-12-9-10(4)14-13(15-12)11(6-2)7-3/h5-6,9,12H,1,7-8H2,2-4H3,(H,14,15)/b11-6+/t12-/m1/s1.
What are the key properties of (4R)-6-methyl-2-[(E)-pent-2-en-3-yl]-4-prop-2-enyl-1,4-dihydropyrimidine?
(4R)-6-methyl-2-[(E)-pent-2-en-3-yl]-4-prop-2-enyl-1,4-dihydropyrimidine has a molecular weight of 204.32 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-methyl-2-[(E)-pent-2-en-3-yl]-4-prop-2-enyl-1,4-dihydropyrimidine is sourced from PubChem (CID 129208626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).