(E)-5-(2,4-dimethoxypyrimidin-5-yl)pent-4-en-2-amine

C11H17N3O2 — CID 23589029

IUPAC(E)-5-(2,4-dimethoxypyrimidin-5-yl)pent-4-en-2-amine
SMILESCOc1ncc(/C=C/CC(C)N)c(OC)n1
InChIInChI=1S/C11H17N3O2/c1-8(12)5-4-6-9-7-13-11(16-3)14-10(9)15-2/h4,6-8H,5,12H2,1-3H3/b6-4+
InChIKeyROBRKTIORFNBQH-GQCTYLIASA-N
MW223.28 g/mol
LogP1.24
Rot. Bonds5

About (E)-5-(2,4-dimethoxypyrimidin-5-yl)pent-4-en-2-amine

(E)-5-(2,4-dimethoxypyrimidin-5-yl)pent-4-en-2-amine (PubChem CID 23589029) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is (E)-5-(2,4-dimethoxypyrimidin-5-yl)pent-4-en-2-amine.

Molecular Properties

Compound Name(E)-5-(2,4-dimethoxypyrimidin-5-yl)pent-4-en-2-amine
PubChem CID23589029
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name(E)-5-(2,4-dimethoxypyrimidin-5-yl)pent-4-en-2-amine
SMILESCOc1ncc(/C=C/CC(C)N)c(OC)n1
InChIInChI=1S/C11H17N3O2/c1-8(12)5-4-6-9-7-13-11(16-3)14-10(9)15-2/h4,6-8H,5,12H2,1-3H3/b6-4+
InChIKeyROBRKTIORFNBQH-GQCTYLIASA-N
XLogP1.24
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(E,4S)-4-aminopent-1-enyl]-N-ethyl-4-methoxypyrimidin-2-amine;dihydrochloride
CID 178023964
4-(2,4-dimethoxypyrimidin-5-yl)but-3-ene-1-thiol
CID 170478677
4-(2,4-dimethoxypyrimidin-5-yl)but-3-enamide
CID 170798259
4-(2,4-dimethoxypyrimidin-5-yl)but-3-enenitrile
CID 170800036
5-[(E,4S)-4-aminohex-1-enyl]-4-methoxypyrimidin-2-amine
CID 178023722
N-[4-(2,4-dimethoxypyrimidin-5-yl)but-3-enyl]acetamide
CID 170489028
3-(2,4-dimethoxypyrimidin-5-yl)prop-2-enoic acid
CID 688431
2,4-dimethoxy-5-[(Z)-2-pyridin-4-ylethenyl]pyrimidine
CID 11694423
(E)-5-(4-methoxyphenyl)pent-4-en-2-amine
CID 55254782
2-amino-3-(2,4-dimethoxypyrimidin-5-yl)propanoic acid
CID 82662650
(E,2S)-5-(1H-pyrazolo[5,4-b]pyridin-5-yl)pent-4-en-2-amine;trihydrochloride
CID 178024066
3-(2-chloro-4-methoxypyrimidin-5-yl)-N-methylprop-2-en-1-amine
CID 169473569

Frequently Asked Questions

What is the IUPAC name of (E)-5-(2,4-dimethoxypyrimidin-5-yl)pent-4-en-2-amine?
The IUPAC name of (E)-5-(2,4-dimethoxypyrimidin-5-yl)pent-4-en-2-amine (CID 23589029) is (E)-5-(2,4-dimethoxypyrimidin-5-yl)pent-4-en-2-amine.
What is the SMILES notation for (E)-5-(2,4-dimethoxypyrimidin-5-yl)pent-4-en-2-amine?
The canonical SMILES for (E)-5-(2,4-dimethoxypyrimidin-5-yl)pent-4-en-2-amine is COc1ncc(/C=C/CC(C)N)c(OC)n1.
What is the InChIKey of (E)-5-(2,4-dimethoxypyrimidin-5-yl)pent-4-en-2-amine?
The InChIKey is ROBRKTIORFNBQH-GQCTYLIASA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8(12)5-4-6-9-7-13-11(16-3)14-10(9)15-2/h4,6-8H,5,12H2,1-3H3/b6-4+.
What are the key properties of (E)-5-(2,4-dimethoxypyrimidin-5-yl)pent-4-en-2-amine?
(E)-5-(2,4-dimethoxypyrimidin-5-yl)pent-4-en-2-amine has a molecular weight of 223.28 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(2,4-dimethoxypyrimidin-5-yl)pent-4-en-2-amine is sourced from PubChem (CID 23589029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).