N,5-dimethyl-4-[[(3S)-oxolan-3-yl]amino]-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide

C16H22N4O2S — CID 26275489

IUPACN,5-dimethyl-4-[[(3S)-oxolan-3-yl]amino]-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)N(C)C(C)C)sc2ncnc(N[C@H]3CCOC3)c12
InChIInChI=1S/C16H22N4O2S/c1-9(2)20(4)16(21)13-10(3)12-14(17-8-18-15(12)23-13)19-11-5-6-22-7-11/h8-9,11H,5-7H2,1-4H3,(H,17,18,19)/t11-/m0/s1
InChIKeyVRUIWZZIIULIPU-NSHDSACASA-N
MW334.45 g/mol
LogP2.68
Rot. Bonds4

About N,5-dimethyl-4-[[(3S)-oxolan-3-yl]amino]-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide

N,5-dimethyl-4-[[(3S)-oxolan-3-yl]amino]-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 26275489) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is N,5-dimethyl-4-[[(3S)-oxolan-3-yl]amino]-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN,5-dimethyl-4-[[(3S)-oxolan-3-yl]amino]-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID26275489
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC NameN,5-dimethyl-4-[[(3S)-oxolan-3-yl]amino]-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)N(C)C(C)C)sc2ncnc(N[C@H]3CCOC3)c12
InChIInChI=1S/C16H22N4O2S/c1-9(2)20(4)16(21)13-10(3)12-14(17-8-18-15(12)23-13)19-11-5-6-22-7-11/h8-9,11H,5-7H2,1-4H3,(H,17,18,19)/t11-/m0/s1
InChIKeyVRUIWZZIIULIPU-NSHDSACASA-N
XLogP2.68
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N,5-dimethyl-4-[[(3S)-oxolan-3-yl]amino]-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide with MolForge

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Related Compounds

5-methyl-4-(oxolan-3-ylamino)thieno[2,3-d]pyrimidine-6-carboxylic acid
CID 80713163
5-methyl-4-(oxolan-3-ylamino)-N-(2-propan-2-yloxyethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 45244313
4-[2-(cyclohexen-1-yl)ethylamino]-N,5-dimethyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 26359352
ethyl 5-methyl-4-[1-(oxan-4-yl)ethylamino]thieno[2,3-d]pyrimidine-6-carboxylate
CID 133366233
4-[(3,3-dimethylcyclopentyl)amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
CID 114546980
4-[(3-methoxyphenyl)methylamino]-5-methyl-N-[(3R)-oxolan-3-yl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 42398144
N,5-dimethyl-N-(2-methylpropyl)-4-(oxolan-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 45217474
4-[4-fluoro-2-(oxan-4-yloxy)anilino]-N,N,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 46182081
N-[3-(dimethylamino)propyl]-4-[[4-fluoro-2-(oxolan-3-yloxy)cyclohexa-2,4-dien-1-yl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 123974188
N-[3-(dimethylamino)propyl]-4-[4-fluoro-2-[(3S)-oxolan-3-yl]oxyanilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 53373805
N,N,5-trimethyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 45249432
ethyl 4-[(2,6-dimethyloxan-4-yl)amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 75438022

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-4-[[(3S)-oxolan-3-yl]amino]-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N,5-dimethyl-4-[[(3S)-oxolan-3-yl]amino]-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide (CID 26275489) is N,5-dimethyl-4-[[(3S)-oxolan-3-yl]amino]-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N,5-dimethyl-4-[[(3S)-oxolan-3-yl]amino]-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N,5-dimethyl-4-[[(3S)-oxolan-3-yl]amino]-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide is Cc1c(C(=O)N(C)C(C)C)sc2ncnc(N[C@H]3CCOC3)c12.
What is the InChIKey of N,5-dimethyl-4-[[(3S)-oxolan-3-yl]amino]-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is VRUIWZZIIULIPU-NSHDSACASA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-9(2)20(4)16(21)13-10(3)12-14(17-8-18-15(12)23-13)19-11-5-6-22-7-11/h8-9,11H,5-7H2,1-4H3,(H,17,18,19)/t11-/m0/s1.
What are the key properties of N,5-dimethyl-4-[[(3S)-oxolan-3-yl]amino]-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide?
N,5-dimethyl-4-[[(3S)-oxolan-3-yl]amino]-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 334.45 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-4-[[(3S)-oxolan-3-yl]amino]-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 26275489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).