N-methyl-N-[(9-methyl-6-morpholin-4-ylpurin-2-yl)methyl]-1-(1,3-thiazol-4-yl)methanamine

C16H21N7OS — CID 175657471

IUPACN-methyl-N-[(9-methyl-6-morpholin-4-ylpurin-2-yl)methyl]-1-(1,3-thiazol-4-yl)methanamine
SMILESCN(Cc1cscn1)Cc1nc(N2CCOCC2)c2ncn(C)c2n1
InChIInChI=1S/C16H21N7OS/c1-21(7-12-9-25-11-18-12)8-13-19-15-14(17-10-22(15)2)16(20-13)23-3-5-24-6-4-23/h9-11H,3-8H2,1-2H3
InChIKeyULNXPDGEQXEIDR-UHFFFAOYSA-N
MW359.46 g/mol
LogP1.29
Rot. Bonds5

About N-methyl-N-[(9-methyl-6-morpholin-4-ylpurin-2-yl)methyl]-1-(1,3-thiazol-4-yl)methanamine

N-methyl-N-[(9-methyl-6-morpholin-4-ylpurin-2-yl)methyl]-1-(1,3-thiazol-4-yl)methanamine (PubChem CID 175657471) has the molecular formula C16H21N7OS and a molecular weight of 359.46 g/mol. Its IUPAC name is N-methyl-N-[(9-methyl-6-morpholin-4-ylpurin-2-yl)methyl]-1-(1,3-thiazol-4-yl)methanamine.

Molecular Properties

Compound NameN-methyl-N-[(9-methyl-6-morpholin-4-ylpurin-2-yl)methyl]-1-(1,3-thiazol-4-yl)methanamine
PubChem CID175657471
Molecular FormulaC16H21N7OS
Molecular Weight359.46 g/mol
Exact Mass359.15
IUPAC NameN-methyl-N-[(9-methyl-6-morpholin-4-ylpurin-2-yl)methyl]-1-(1,3-thiazol-4-yl)methanamine
SMILESCN(Cc1cscn1)Cc1nc(N2CCOCC2)c2ncn(C)c2n1
InChIInChI=1S/C16H21N7OS/c1-21(7-12-9-25-11-18-12)8-13-19-15-14(17-10-22(15)2)16(20-13)23-3-5-24-6-4-23/h9-11H,3-8H2,1-2H3
InChIKeyULNXPDGEQXEIDR-UHFFFAOYSA-N
XLogP1.29
TPSA72.20 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.46
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze N-methyl-N-[(9-methyl-6-morpholin-4-ylpurin-2-yl)methyl]-1-(1,3-thiazol-4-yl)methanamine with MolForge

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Related Compounds

N-methyl-1-(6-methyl-2-pyridinyl)-N-[[6-morpholin-4-yl-9-(2,2,2-trifluoroethyl)purin-2-yl]methyl]methanamine
CID 175657206
tributyl-(9-methyl-6-morpholin-4-ylpurin-2-yl)stannane
CID 141284313
N,N,9-trimethyl-6-(4-methylpiperazin-1-yl)purin-2-amine
CID 15016760
1-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)-N-methyl-N-[(1-methylimidazol-4-yl)methyl]methanamine
CID 86623542
4-(9-ethyl-2-methylpurin-6-yl)morpholine
CID 168920801
N-methyl-1-[(3R)-1-phenylpyrrolidin-3-yl]-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 99943025
1-[4-(5-cyclopropyl-1-methyl-1,2,4-triazol-3-yl)phenyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 171389299
4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]benzoic acid
CID 54885489
N-methyl-2-morpholin-4-yl-N-[1-(1,3-thiazol-4-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 172902619
4-(9-ethyl-2-pyrrolidin-1-ylpurin-6-yl)morpholine
CID 167824678
4-(7-methyl-2-morpholin-4-ylpurin-6-yl)morpholine
CID 163441360
4-(2-pentyl-9-piperidin-4-ylpurin-6-yl)morpholine
CID 69090766

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(9-methyl-6-morpholin-4-ylpurin-2-yl)methyl]-1-(1,3-thiazol-4-yl)methanamine?
The IUPAC name of N-methyl-N-[(9-methyl-6-morpholin-4-ylpurin-2-yl)methyl]-1-(1,3-thiazol-4-yl)methanamine (CID 175657471) is N-methyl-N-[(9-methyl-6-morpholin-4-ylpurin-2-yl)methyl]-1-(1,3-thiazol-4-yl)methanamine.
What is the SMILES notation for N-methyl-N-[(9-methyl-6-morpholin-4-ylpurin-2-yl)methyl]-1-(1,3-thiazol-4-yl)methanamine?
The canonical SMILES for N-methyl-N-[(9-methyl-6-morpholin-4-ylpurin-2-yl)methyl]-1-(1,3-thiazol-4-yl)methanamine is CN(Cc1cscn1)Cc1nc(N2CCOCC2)c2ncn(C)c2n1.
What is the InChIKey of N-methyl-N-[(9-methyl-6-morpholin-4-ylpurin-2-yl)methyl]-1-(1,3-thiazol-4-yl)methanamine?
The InChIKey is ULNXPDGEQXEIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7OS/c1-21(7-12-9-25-11-18-12)8-13-19-15-14(17-10-22(15)2)16(20-13)23-3-5-24-6-4-23/h9-11H,3-8H2,1-2H3.
What are the key properties of N-methyl-N-[(9-methyl-6-morpholin-4-ylpurin-2-yl)methyl]-1-(1,3-thiazol-4-yl)methanamine?
N-methyl-N-[(9-methyl-6-morpholin-4-ylpurin-2-yl)methyl]-1-(1,3-thiazol-4-yl)methanamine has a molecular weight of 359.46 g/mol, XLogP of 1.29, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(9-methyl-6-morpholin-4-ylpurin-2-yl)methyl]-1-(1,3-thiazol-4-yl)methanamine is sourced from PubChem (CID 175657471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).