6-(methoxymethyl)-2-N-pyrrolidin-3-yl-4-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)pyrimidine-2,4-diamine

C16H19N7OS — CID 123359313

IUPAC6-(methoxymethyl)-2-N-pyrrolidin-3-yl-4-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)pyrimidine-2,4-diamine
SMILESCOCc1cc(Nc2nc3cccnc3s2)nc(NC2CCNC2)n1
InChIInChI=1S/C16H19N7OS/c1-24-9-11-7-13(22-15(20-11)19-10-4-6-17-8-10)23-16-21-12-3-2-5-18-14(12)25-16/h2-3,5,7,10,17H,4,6,8-9H2,1H3,(H2,19,20,21,22,23)
InChIKeyGCEQNRZVZCDNDM-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.15
Rot. Bonds6

About 6-(methoxymethyl)-2-N-pyrrolidin-3-yl-4-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)pyrimidine-2,4-diamine

6-(methoxymethyl)-2-N-pyrrolidin-3-yl-4-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)pyrimidine-2,4-diamine (PubChem CID 123359313) has the molecular formula C16H19N7OS and a molecular weight of 357.44 g/mol. Its IUPAC name is 6-(methoxymethyl)-2-N-pyrrolidin-3-yl-4-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(methoxymethyl)-2-N-pyrrolidin-3-yl-4-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)pyrimidine-2,4-diamine
PubChem CID123359313
Molecular FormulaC16H19N7OS
Molecular Weight357.44 g/mol
Exact Mass357.14
IUPAC Name6-(methoxymethyl)-2-N-pyrrolidin-3-yl-4-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)pyrimidine-2,4-diamine
SMILESCOCc1cc(Nc2nc3cccnc3s2)nc(NC2CCNC2)n1
InChIInChI=1S/C16H19N7OS/c1-24-9-11-7-13(22-15(20-11)19-10-4-6-17-8-10)23-16-21-12-3-2-5-18-14(12)25-16/h2-3,5,7,10,17H,4,6,8-9H2,1H3,(H2,19,20,21,22,23)
InChIKeyGCEQNRZVZCDNDM-UHFFFAOYSA-N
XLogP2.15
TPSA96.88 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

1-[(3s)-3-{[4-(Morpholin-4-Ylmethyl)-6-([1,3]thiazolo[5,4-B]pyridin-2-Ylamino)pyrimidin-2-Yl]amino}pyrrolidin-1-Yl]prop-2-En-1-One
CID 56940984
4-methyl-5-[2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine
CID 126534280
N-cyclopentyl-4-methyl-5-[2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 126535109
2-Methoxyethyl-[4-[(5-methylpyrazin-2-yl)methylamino]thieno[3,2-d]pyrimidin-2-yl]amine
CID 46944015
7-morpholin-4-yl-5-propylsulfanyl-N-pyridin-2-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine
CID 137634110
1-[(3S)-3-[[4-(morpholin-4-ium-4-ylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one
CID 78225362
N2-[(3R)-1-Acryloyl-3-pyrrolidinyl]-6-(4-morpholinylmethyl)-N4-[1,3]thiazolo[5,4-b]pyridin-2-yl-2,4-pyrimidinediamine (14)
CID 56940843
1-[(3s)-3-{[4-(Morpholin-4-Ylmethyl)-6-([1,3]thiazolo[5,4-B]pyridin-2-Ylamino)pyrimidin-2-Yl]amino}pyrrolidin-1-Yl]propan-1-One
CID 71660644
1,5-anhydro-2,4-dideoxy-3-O-(1,3-thiazol-4-ylmethyl)-4-(thieno[3,2-d]pyrimidin-4-ylamino)-D-erythro-pentitol
CID 91784673
(2S)-3-[4-(fluoromethyl)phenyl]-1-N-[4-(methoxymethyl)-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazol-2-yl]propane-1,2-diamine
CID 88874003
1-[7-(1-Methoxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(1,3-thiazol-2-ylamino)-5-(trifluoromethyl)pyridin-3-yl]urea
CID 134209028
1-[7-[(1S)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-[[(2R)-1-methoxypropan-2-yl]-methylamino]-5-(trifluoromethyl)pyridin-3-yl]urea
CID 134217699

Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)-2-N-pyrrolidin-3-yl-4-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)pyrimidine-2,4-diamine?
The IUPAC name of 6-(methoxymethyl)-2-N-pyrrolidin-3-yl-4-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)pyrimidine-2,4-diamine (CID 123359313) is 6-(methoxymethyl)-2-N-pyrrolidin-3-yl-4-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(methoxymethyl)-2-N-pyrrolidin-3-yl-4-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-(methoxymethyl)-2-N-pyrrolidin-3-yl-4-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)pyrimidine-2,4-diamine is COCc1cc(Nc2nc3cccnc3s2)nc(NC2CCNC2)n1.
What is the InChIKey of 6-(methoxymethyl)-2-N-pyrrolidin-3-yl-4-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)pyrimidine-2,4-diamine?
The InChIKey is GCEQNRZVZCDNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7OS/c1-24-9-11-7-13(22-15(20-11)19-10-4-6-17-8-10)23-16-21-12-3-2-5-18-14(12)25-16/h2-3,5,7,10,17H,4,6,8-9H2,1H3,(H2,19,20,21,22,23).
What are the key properties of 6-(methoxymethyl)-2-N-pyrrolidin-3-yl-4-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)pyrimidine-2,4-diamine?
6-(methoxymethyl)-2-N-pyrrolidin-3-yl-4-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)pyrimidine-2,4-diamine has a molecular weight of 357.44 g/mol, XLogP of 2.15, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-2-N-pyrrolidin-3-yl-4-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 123359313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).