N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(methoxymethyl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine

C16H21N5O2S — CID 126447830

IUPACN-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(methoxymethyl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
SMILESCOCc1nc(NCc2cn3c(n2)SCC3)cc([C@H]2CCOC2)n1
InChIInChI=1S/C16H21N5O2S/c1-22-10-15-19-13(11-2-4-23-9-11)6-14(20-15)17-7-12-8-21-3-5-24-16(21)18-12/h6,8,11H,2-5,7,9-10H2,1H3,(H,17,19,20)/t11-/m0/s1
InChIKeySSKVKSCWFSIAHX-NSHDSACASA-N
MW347.44 g/mol
LogP2.04
Rot. Bonds6

About N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(methoxymethyl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine

N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(methoxymethyl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine (PubChem CID 126447830) has the molecular formula C16H21N5O2S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(methoxymethyl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(methoxymethyl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
PubChem CID126447830
Molecular FormulaC16H21N5O2S
Molecular Weight347.44 g/mol
Exact Mass347.14
IUPAC NameN-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(methoxymethyl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
SMILESCOCc1nc(NCc2cn3c(n2)SCC3)cc([C@H]2CCOC2)n1
InChIInChI=1S/C16H21N5O2S/c1-22-10-15-19-13(11-2-4-23-9-11)6-14(20-15)17-7-12-8-21-3-5-24-16(21)18-12/h6,8,11H,2-5,7,9-10H2,1H3,(H,17,19,20)/t11-/m0/s1
InChIKeySSKVKSCWFSIAHX-NSHDSACASA-N
XLogP2.04
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(methoxymethyl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine with MolForge

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Related Compounds

N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-(methoxymethyl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
CID 126429104
2-(methoxymethyl)-N-(1,2-oxazol-5-ylmethyl)-6-(oxolan-3-yl)pyrimidin-4-amine
CID 119061530
N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-2-(methoxymethyl)-6-(oxolan-3-yl)pyrimidin-4-amine
CID 118787512
N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(methoxymethyl)-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine
CID 126450398
4-[1-[2-(methoxymethyl)-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]thiomorpholine
CID 126446346
2-(methoxymethyl)-4-[(3R)-oxolan-3-yl]-6-(3-pyrazol-1-ylazetidin-1-yl)pyrimidine
CID 126441110
ethyl 4-[2-(methoxymethyl)-6-(oxolan-3-yl)pyrimidin-4-yl]piperazine-1-carboxylate
CID 119064029
2-(methoxymethyl)-4-(oxolan-3-yl)-6-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine
CID 119061228
2-(methoxymethyl)-4-[(3R)-oxolan-3-yl]-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
CID 126448608
2-[4-[2-(methoxymethyl)-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]phenol
CID 126442787
2-(methoxymethyl)-N-methyl-6-[(3S)-oxolan-3-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
CID 126448408
4-N-[(4-methoxyphenyl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 126439514

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(methoxymethyl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine?
The IUPAC name of N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(methoxymethyl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine (CID 126447830) is N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(methoxymethyl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine.
What is the SMILES notation for N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(methoxymethyl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine?
The canonical SMILES for N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(methoxymethyl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine is COCc1nc(NCc2cn3c(n2)SCC3)cc([C@H]2CCOC2)n1.
What is the InChIKey of N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(methoxymethyl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine?
The InChIKey is SSKVKSCWFSIAHX-NSHDSACASA-N. The full InChI is InChI=1S/C16H21N5O2S/c1-22-10-15-19-13(11-2-4-23-9-11)6-14(20-15)17-7-12-8-21-3-5-24-16(21)18-12/h6,8,11H,2-5,7,9-10H2,1H3,(H,17,19,20)/t11-/m0/s1.
What are the key properties of N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(methoxymethyl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine?
N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(methoxymethyl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine has a molecular weight of 347.44 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(methoxymethyl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 126447830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).