2-chloro-7-methyl-4-morpholin-4-yl-6-[(4E,6Z)-nona-4,6,8-trien-4-yl]furo[3,2-d]pyrimidine

C20H24ClN3O2 — CID 166164851

IUPAC2-chloro-7-methyl-4-morpholin-4-yl-6-[(4E,6Z)-nona-4,6,8-trien-4-yl]furo[3,2-d]pyrimidine
SMILESC=C/C=C\C=C(/CCC)c1oc2c(N3CCOCC3)nc(Cl)nc2c1C
InChIInChI=1S/C20H24ClN3O2/c1-4-6-7-9-15(8-5-2)17-14(3)16-18(26-17)19(23-20(21)22-16)24-10-12-25-13-11-24/h4,6-7,9H,1,5,8,10-13H2,2-3H3/b7-6-,15-9+
InChIKeyXUNFOVPPZGCPGL-KWMXLAOOSA-N
MW373.88 g/mol
LogP4.95
Rot. Bonds6

About 2-chloro-7-methyl-4-morpholin-4-yl-6-[(4E,6Z)-nona-4,6,8-trien-4-yl]furo[3,2-d]pyrimidine

2-chloro-7-methyl-4-morpholin-4-yl-6-[(4E,6Z)-nona-4,6,8-trien-4-yl]furo[3,2-d]pyrimidine (PubChem CID 166164851) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is 2-chloro-7-methyl-4-morpholin-4-yl-6-[(4E,6Z)-nona-4,6,8-trien-4-yl]furo[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-7-methyl-4-morpholin-4-yl-6-[(4E,6Z)-nona-4,6,8-trien-4-yl]furo[3,2-d]pyrimidine
PubChem CID166164851
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC Name2-chloro-7-methyl-4-morpholin-4-yl-6-[(4E,6Z)-nona-4,6,8-trien-4-yl]furo[3,2-d]pyrimidine
SMILESC=C/C=C\C=C(/CCC)c1oc2c(N3CCOCC3)nc(Cl)nc2c1C
InChIInChI=1S/C20H24ClN3O2/c1-4-6-7-9-15(8-5-2)17-14(3)16-18(26-17)19(23-20(21)22-16)24-10-12-25-13-11-24/h4,6-7,9H,1,5,8,10-13H2,2-3H3/b7-6-,15-9+
InChIKeyXUNFOVPPZGCPGL-KWMXLAOOSA-N
XLogP4.95
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-chloro-7-methyl-4-morpholin-4-yl-6-[(4E,6Z)-nona-4,6,8-trien-4-yl]furo[3,2-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-4-morpholin-4-yl-6-[(3E,5Z)-octa-3,5,7-trien-3-yl]furo[3,2-d]pyrimidine
CID 166164967
2-chloro-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine
CID 166124766
methyl (2E)-2-[(2-chloro-5-methyl-6-morpholin-4-ylpyrimidin-4-yl)methylidene]-3-methylpentanoate
CID 166164653
12-bromo-4-chloro-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-chloro-6,12-dimorpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;morpholine
CID 161359604
(2-chloro-9-ethyl-6-morpholin-4-ylpurin-8-yl)methanol
CID 58439142
4-(2-chloro-9-ethyl-6-morpholin-4-ylpurin-8-yl)morpholine
CID 168921312
4-(2-chloro-8,9-dimethylpurin-6-yl)morpholine
CID 59806507
4-(5-chloro-2-methyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)morpholine
CID 58234939
N-[(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-N-methylbenzamide
CID 59829525
(2-chloro-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl)methanol
CID 71299202
N-[4-[(4-chloro-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-12-yl)methyl]-1-oxo-1,4-thiazinan-1-ylidene]-2,2,2-trifluoroacetamide
CID 126621021
4-(7-bromo-2-chloro-8-fluoroquinazolin-4-yl)-1,4-oxazepane
CID 166162600

Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-methyl-4-morpholin-4-yl-6-[(4E,6Z)-nona-4,6,8-trien-4-yl]furo[3,2-d]pyrimidine?
The IUPAC name of 2-chloro-7-methyl-4-morpholin-4-yl-6-[(4E,6Z)-nona-4,6,8-trien-4-yl]furo[3,2-d]pyrimidine (CID 166164851) is 2-chloro-7-methyl-4-morpholin-4-yl-6-[(4E,6Z)-nona-4,6,8-trien-4-yl]furo[3,2-d]pyrimidine.
What is the SMILES notation for 2-chloro-7-methyl-4-morpholin-4-yl-6-[(4E,6Z)-nona-4,6,8-trien-4-yl]furo[3,2-d]pyrimidine?
The canonical SMILES for 2-chloro-7-methyl-4-morpholin-4-yl-6-[(4E,6Z)-nona-4,6,8-trien-4-yl]furo[3,2-d]pyrimidine is C=C/C=C\C=C(/CCC)c1oc2c(N3CCOCC3)nc(Cl)nc2c1C.
What is the InChIKey of 2-chloro-7-methyl-4-morpholin-4-yl-6-[(4E,6Z)-nona-4,6,8-trien-4-yl]furo[3,2-d]pyrimidine?
The InChIKey is XUNFOVPPZGCPGL-KWMXLAOOSA-N. The full InChI is InChI=1S/C20H24ClN3O2/c1-4-6-7-9-15(8-5-2)17-14(3)16-18(26-17)19(23-20(21)22-16)24-10-12-25-13-11-24/h4,6-7,9H,1,5,8,10-13H2,2-3H3/b7-6-,15-9+.
What are the key properties of 2-chloro-7-methyl-4-morpholin-4-yl-6-[(4E,6Z)-nona-4,6,8-trien-4-yl]furo[3,2-d]pyrimidine?
2-chloro-7-methyl-4-morpholin-4-yl-6-[(4E,6Z)-nona-4,6,8-trien-4-yl]furo[3,2-d]pyrimidine has a molecular weight of 373.88 g/mol, XLogP of 4.95, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-methyl-4-morpholin-4-yl-6-[(4E,6Z)-nona-4,6,8-trien-4-yl]furo[3,2-d]pyrimidine is sourced from PubChem (CID 166164851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).