N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

C19H25N5OS — CID 133271867

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1nc(CNc2nc(CN3CCCC3)nc3sc(C)c(C)c23)oc1C
InChIInChI=1S/C19H25N5OS/c1-11-14(4)26-19-17(11)18(20-9-16-21-12(2)13(3)25-16)22-15(23-19)10-24-7-5-6-8-24/h5-10H2,1-4H3,(H,20,22,23)
InChIKeyJEJQBJZHOSBODO-UHFFFAOYSA-N
MW371.51 g/mol
LogP4.12
Rot. Bonds5

About N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 133271867) has the molecular formula C19H25N5OS and a molecular weight of 371.51 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID133271867
Molecular FormulaC19H25N5OS
Molecular Weight371.51 g/mol
Exact Mass371.18
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1nc(CNc2nc(CN3CCCC3)nc3sc(C)c(C)c23)oc1C
InChIInChI=1S/C19H25N5OS/c1-11-14(4)26-19-17(11)18(20-9-16-21-12(2)13(3)25-16)22-15(23-19)10-24-7-5-6-8-24/h5-10H2,1-4H3,(H,20,22,23)
InChIKeyJEJQBJZHOSBODO-UHFFFAOYSA-N
XLogP4.12
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5,6-dimethyl-N-[(3-methyl-4-pyridinyl)methyl]-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 133495578
5,6-dimethyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 133452754
1-[[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]-2-(5-methylfuran-2-yl)propan-2-ol
CID 133353191
5,6-dimethyl-N-(2-morpholin-4-ylethyl)-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 18074902
5,6-dimethyl-N-(2-methyl-2-piperidin-1-ylpropyl)-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 18083464
5,6-dimethyl-2-(morpholin-4-ylmethyl)-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 31055335
N-[(4-chlorophenyl)methyl]-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 26455526
5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)-N-[2-(triazol-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 133449330
4-[[[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]oxane-4-carboxamide
CID 133314294
4-[[[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]-1H-quinolin-2-one
CID 133349348
5,6-dimethyl-N-[(4-methylsulfonylphenyl)methyl]-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 60502717
N-(1,3-benzodioxol-5-yl)-5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 17497375

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (CID 133271867) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is Cc1nc(CNc2nc(CN3CCCC3)nc3sc(C)c(C)c23)oc1C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is JEJQBJZHOSBODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5OS/c1-11-14(4)26-19-17(11)18(20-9-16-21-12(2)13(3)25-16)22-15(23-19)10-24-7-5-6-8-24/h5-10H2,1-4H3,(H,20,22,23).
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 371.51 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 133271867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).