2-amino-N-[8-[(1Z)-3-methoxybuta-1,3-dienyl]-7-(methoxymethyl)-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-5-ylidene]pyrimidine-5-carboxamide

C18H21N7O3 — CID 156876083

IUPAC2-amino-N-[8-[(1Z)-3-methoxybuta-1,3-dienyl]-7-(methoxymethyl)-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-5-ylidene]pyrimidine-5-carboxamide
SMILESC=C(/C=C\c1c(COC)n/c(=N\C(=O)c2cnc(N)nc2)n2c1NCC2)OC
InChIInChI=1S/C18H21N7O3/c1-11(28-3)4-5-13-14(10-27-2)23-18(25-7-6-20-15(13)25)24-16(26)12-8-21-17(19)22-9-12/h4-5,8-9,20H,1,6-7,10H2,2-3H3,(H2,19,21,22)/b5-4-,24-18+
InChIKeyTXOCWUMLYHVDPK-JJSLBLFPSA-N
MW383.41 g/mol
LogP0.74
Rot. Bonds6

About 2-amino-N-[8-[(1Z)-3-methoxybuta-1,3-dienyl]-7-(methoxymethyl)-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-5-ylidene]pyrimidine-5-carboxamide

2-amino-N-[8-[(1Z)-3-methoxybuta-1,3-dienyl]-7-(methoxymethyl)-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-5-ylidene]pyrimidine-5-carboxamide (PubChem CID 156876083) has the molecular formula C18H21N7O3 and a molecular weight of 383.41 g/mol. Its IUPAC name is 2-amino-N-[8-[(1Z)-3-methoxybuta-1,3-dienyl]-7-(methoxymethyl)-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-5-ylidene]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-[8-[(1Z)-3-methoxybuta-1,3-dienyl]-7-(methoxymethyl)-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-5-ylidene]pyrimidine-5-carboxamide
PubChem CID156876083
Molecular FormulaC18H21N7O3
Molecular Weight383.41 g/mol
Exact Mass383.17
IUPAC Name2-amino-N-[8-[(1Z)-3-methoxybuta-1,3-dienyl]-7-(methoxymethyl)-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-5-ylidene]pyrimidine-5-carboxamide
SMILESC=C(/C=C\c1c(COC)n/c(=N\C(=O)c2cnc(N)nc2)n2c1NCC2)OC
InChIInChI=1S/C18H21N7O3/c1-11(28-3)4-5-13-14(10-27-2)23-18(25-7-6-20-15(13)25)24-16(26)12-8-21-17(19)22-9-12/h4-5,8-9,20H,1,6-7,10H2,2-3H3,(H2,19,21,22)/b5-4-,24-18+
InChIKeyTXOCWUMLYHVDPK-JJSLBLFPSA-N
XLogP0.74
TPSA129.54 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 2-amino-N-[8-[(1Z)-3-methoxybuta-1,3-dienyl]-7-(methoxymethyl)-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-5-ylidene]pyrimidine-5-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[8-[(1Z)-3-methoxybuta-1,3-dienyl]-7-(methoxymethyl)-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-5-ylidene]pyrimidine-5-carboxamide?
The IUPAC name of 2-amino-N-[8-[(1Z)-3-methoxybuta-1,3-dienyl]-7-(methoxymethyl)-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-5-ylidene]pyrimidine-5-carboxamide (CID 156876083) is 2-amino-N-[8-[(1Z)-3-methoxybuta-1,3-dienyl]-7-(methoxymethyl)-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-5-ylidene]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-N-[8-[(1Z)-3-methoxybuta-1,3-dienyl]-7-(methoxymethyl)-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-5-ylidene]pyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-N-[8-[(1Z)-3-methoxybuta-1,3-dienyl]-7-(methoxymethyl)-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-5-ylidene]pyrimidine-5-carboxamide is C=C(/C=C\c1c(COC)n/c(=N\C(=O)c2cnc(N)nc2)n2c1NCC2)OC.
What is the InChIKey of 2-amino-N-[8-[(1Z)-3-methoxybuta-1,3-dienyl]-7-(methoxymethyl)-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-5-ylidene]pyrimidine-5-carboxamide?
The InChIKey is TXOCWUMLYHVDPK-JJSLBLFPSA-N. The full InChI is InChI=1S/C18H21N7O3/c1-11(28-3)4-5-13-14(10-27-2)23-18(25-7-6-20-15(13)25)24-16(26)12-8-21-17(19)22-9-12/h4-5,8-9,20H,1,6-7,10H2,2-3H3,(H2,19,21,22)/b5-4-,24-18+.
What are the key properties of 2-amino-N-[8-[(1Z)-3-methoxybuta-1,3-dienyl]-7-(methoxymethyl)-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-5-ylidene]pyrimidine-5-carboxamide?
2-amino-N-[8-[(1Z)-3-methoxybuta-1,3-dienyl]-7-(methoxymethyl)-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-5-ylidene]pyrimidine-5-carboxamide has a molecular weight of 383.41 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[8-[(1Z)-3-methoxybuta-1,3-dienyl]-7-(methoxymethyl)-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-5-ylidene]pyrimidine-5-carboxamide is sourced from PubChem (CID 156876083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).