5-[(E,4S)-4-aminohex-1-enyl]-4-methoxypyrimidin-2-amine

C11H18N4O — CID 178023722

IUPAC5-[(E,4S)-4-aminohex-1-enyl]-4-methoxypyrimidin-2-amine
SMILESCC[C@H](N)C/C=C/c1cnc(N)nc1OC
InChIInChI=1S/C11H18N4O/c1-3-9(12)6-4-5-8-7-14-11(13)15-10(8)16-2/h4-5,7,9H,3,6,12H2,1-2H3,(H2,13,14,15)/b5-4+/t9-/m0/s1
InChIKeyOLASXBWVCXFAMX-MOVJSRMASA-N
MW222.29 g/mol
LogP1.21
Rot. Bonds5

About 5-[(E,4S)-4-aminohex-1-enyl]-4-methoxypyrimidin-2-amine

5-[(E,4S)-4-aminohex-1-enyl]-4-methoxypyrimidin-2-amine (PubChem CID 178023722) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 5-[(E,4S)-4-aminohex-1-enyl]-4-methoxypyrimidin-2-amine.

Molecular Properties

Compound Name5-[(E,4S)-4-aminohex-1-enyl]-4-methoxypyrimidin-2-amine
PubChem CID178023722
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name5-[(E,4S)-4-aminohex-1-enyl]-4-methoxypyrimidin-2-amine
SMILESCC[C@H](N)C/C=C/c1cnc(N)nc1OC
InChIInChI=1S/C11H18N4O/c1-3-9(12)6-4-5-8-7-14-11(13)15-10(8)16-2/h4-5,7,9H,3,6,12H2,1-2H3,(H2,13,14,15)/b5-4+/t9-/m0/s1
InChIKeyOLASXBWVCXFAMX-MOVJSRMASA-N
XLogP1.21
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(E)-5-(2,4-dimethoxypyrimidin-5-yl)pent-4-en-2-amine
CID 23589029
ethyl (E)-3-(2-amino-4-methoxypyrimidin-5-yl)prop-2-enoate
CID 164908029
5-[(E,4S)-4-aminopent-1-enyl]-N-ethyl-4-methoxypyrimidin-2-amine;dihydrochloride
CID 178023964
2-[(E)-4-aminohex-1-enyl]phenol
CID 55254229
5-(2-aminoethyl)-4-methoxypyrimidin-2-amine
CID 83851815
4-(2,4-dimethoxypyrimidin-5-yl)but-3-ene-1-thiol
CID 170478677
4,5-dimethoxypyrimidin-2-amine
CID 12988104
5-(4-aminobut-1-enyl)-4-methylpyrimidin-2-amine
CID 170486747
3-(2-chloro-4-methoxypyrimidin-5-yl)-N-methylprop-2-en-1-amine
CID 169473569
4-(2,4-dimethoxypyrimidin-5-yl)but-3-enamide
CID 170798259
5-butyl-4-methoxypyrimidin-2-amine
CID 13301093
4-(2,4-dimethoxypyrimidin-5-yl)but-3-enenitrile
CID 170800036

Frequently Asked Questions

What is the IUPAC name of 5-[(E,4S)-4-aminohex-1-enyl]-4-methoxypyrimidin-2-amine?
The IUPAC name of 5-[(E,4S)-4-aminohex-1-enyl]-4-methoxypyrimidin-2-amine (CID 178023722) is 5-[(E,4S)-4-aminohex-1-enyl]-4-methoxypyrimidin-2-amine.
What is the SMILES notation for 5-[(E,4S)-4-aminohex-1-enyl]-4-methoxypyrimidin-2-amine?
The canonical SMILES for 5-[(E,4S)-4-aminohex-1-enyl]-4-methoxypyrimidin-2-amine is CC[C@H](N)C/C=C/c1cnc(N)nc1OC.
What is the InChIKey of 5-[(E,4S)-4-aminohex-1-enyl]-4-methoxypyrimidin-2-amine?
The InChIKey is OLASXBWVCXFAMX-MOVJSRMASA-N. The full InChI is InChI=1S/C11H18N4O/c1-3-9(12)6-4-5-8-7-14-11(13)15-10(8)16-2/h4-5,7,9H,3,6,12H2,1-2H3,(H2,13,14,15)/b5-4+/t9-/m0/s1.
What are the key properties of 5-[(E,4S)-4-aminohex-1-enyl]-4-methoxypyrimidin-2-amine?
5-[(E,4S)-4-aminohex-1-enyl]-4-methoxypyrimidin-2-amine has a molecular weight of 222.29 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E,4S)-4-aminohex-1-enyl]-4-methoxypyrimidin-2-amine is sourced from PubChem (CID 178023722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).