N-[4-[4-(ethylamino)cyclohexyl]oxy-6-methylpyrido[3,2-d]pyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine

C20H26N6OS — CID 145409658

IUPACN-[4-[4-(ethylamino)cyclohexyl]oxy-6-methylpyrido[3,2-d]pyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine
SMILESCCNC1CCC(Oc2nc(Nc3cc(C)ns3)nc3ccc(C)nc23)CC1
InChIInChI=1S/C20H26N6OS/c1-4-21-14-6-8-15(9-7-14)27-19-18-16(10-5-12(2)22-18)23-20(25-19)24-17-11-13(3)26-28-17/h5,10-11,14-15,21H,4,6-9H2,1-3H3,(H,23,24,25)
InChIKeyNMJBINPOIAVCNL-UHFFFAOYSA-N
MW398.54 g/mol
LogP4.14
Rot. Bonds6

About N-[4-[4-(ethylamino)cyclohexyl]oxy-6-methylpyrido[3,2-d]pyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine

N-[4-[4-(ethylamino)cyclohexyl]oxy-6-methylpyrido[3,2-d]pyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine (PubChem CID 145409658) has the molecular formula C20H26N6OS and a molecular weight of 398.54 g/mol. Its IUPAC name is N-[4-[4-(ethylamino)cyclohexyl]oxy-6-methylpyrido[3,2-d]pyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine.

Molecular Properties

Compound NameN-[4-[4-(ethylamino)cyclohexyl]oxy-6-methylpyrido[3,2-d]pyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine
PubChem CID145409658
Molecular FormulaC20H26N6OS
Molecular Weight398.54 g/mol
Exact Mass398.19
IUPAC NameN-[4-[4-(ethylamino)cyclohexyl]oxy-6-methylpyrido[3,2-d]pyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine
SMILESCCNC1CCC(Oc2nc(Nc3cc(C)ns3)nc3ccc(C)nc23)CC1
InChIInChI=1S/C20H26N6OS/c1-4-21-14-6-8-15(9-7-14)27-19-18-16(10-5-12(2)22-18)23-20(25-19)24-17-11-13(3)26-28-17/h5,10-11,14-15,21H,4,6-9H2,1-3H3,(H,23,24,25)
InChIKeyNMJBINPOIAVCNL-UHFFFAOYSA-N
XLogP4.14
TPSA84.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.54
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[4-[4-(ethylamino)cyclohexyl]oxy-6-methylpyrido[3,2-d]pyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine 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 N-[4-[4-(ethylamino)cyclohexyl]oxy-6-methylpyrido[3,2-d]pyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine?
The IUPAC name of N-[4-[4-(ethylamino)cyclohexyl]oxy-6-methylpyrido[3,2-d]pyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine (CID 145409658) is N-[4-[4-(ethylamino)cyclohexyl]oxy-6-methylpyrido[3,2-d]pyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine.
What is the SMILES notation for N-[4-[4-(ethylamino)cyclohexyl]oxy-6-methylpyrido[3,2-d]pyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine?
The canonical SMILES for N-[4-[4-(ethylamino)cyclohexyl]oxy-6-methylpyrido[3,2-d]pyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine is CCNC1CCC(Oc2nc(Nc3cc(C)ns3)nc3ccc(C)nc23)CC1.
What is the InChIKey of N-[4-[4-(ethylamino)cyclohexyl]oxy-6-methylpyrido[3,2-d]pyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine?
The InChIKey is NMJBINPOIAVCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6OS/c1-4-21-14-6-8-15(9-7-14)27-19-18-16(10-5-12(2)22-18)23-20(25-19)24-17-11-13(3)26-28-17/h5,10-11,14-15,21H,4,6-9H2,1-3H3,(H,23,24,25).
What are the key properties of N-[4-[4-(ethylamino)cyclohexyl]oxy-6-methylpyrido[3,2-d]pyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine?
N-[4-[4-(ethylamino)cyclohexyl]oxy-6-methylpyrido[3,2-d]pyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine has a molecular weight of 398.54 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(ethylamino)cyclohexyl]oxy-6-methylpyrido[3,2-d]pyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine is sourced from PubChem (CID 145409658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).