4-(ethylamino)-N-[(2S)-2-hydroxybutyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide

C14H20N4O2S — CID 26401099

IUPAC4-(ethylamino)-N-[(2S)-2-hydroxybutyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCNc1ncnc2sc(C(=O)NC[C@@H](O)CC)c(C)c12
InChIInChI=1S/C14H20N4O2S/c1-4-9(19)6-16-13(20)11-8(3)10-12(15-5-2)17-7-18-14(10)21-11/h7,9,19H,4-6H2,1-3H3,(H,16,20)(H,15,17,18)/t9-/m0/s1
InChIKeyYJDHUHBCNYSKJQ-VIFPVBQESA-N
MW308.41 g/mol
LogP1.93
Rot. Bonds6

About 4-(ethylamino)-N-[(2S)-2-hydroxybutyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide

4-(ethylamino)-N-[(2S)-2-hydroxybutyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 26401099) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 4-(ethylamino)-N-[(2S)-2-hydroxybutyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-(ethylamino)-N-[(2S)-2-hydroxybutyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID26401099
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name4-(ethylamino)-N-[(2S)-2-hydroxybutyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCNc1ncnc2sc(C(=O)NC[C@@H](O)CC)c(C)c12
InChIInChI=1S/C14H20N4O2S/c1-4-9(19)6-16-13(20)11-8(3)10-12(15-5-2)17-7-18-14(10)21-11/h7,9,19H,4-6H2,1-3H3,(H,16,20)(H,15,17,18)/t9-/m0/s1
InChIKeyYJDHUHBCNYSKJQ-VIFPVBQESA-N
XLogP1.93
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-(dimethylamino)ethylamino]-N-[(2S)-2-hydroxybutyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 25290183
N-(2-hydroxybutyl)-5-methyl-4-(2-phenylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 45218523
N-(2-hydroxybutyl)-5-methyl-4-(2-pyridin-2-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 45185176
4-(ethylamino)-5-methyl-N-(3-methylbutyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 25294318
methyl 3-[[4-(ethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]amino]propanoate
CID 26400112
N-(3-ethoxypropyl)-4-(ethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 42436205
N-(2-hydroxypropyl)-5-methyl-4-(prop-2-enylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 45220552
4-(ethylamino)-5-methyl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 26340424
N-cycloheptyl-4-(ethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 56854446
4-(ethylamino)-N-(2-methoxyethyl)-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 42319443
4-[[(2R)-1-methoxybutan-2-yl]amino]-5-methyl-N-(2-methylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 26351700
N-ethyl-4-(furan-2-ylmethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 42451304

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-[(2S)-2-hydroxybutyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 4-(ethylamino)-N-[(2S)-2-hydroxybutyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide (CID 26401099) is 4-(ethylamino)-N-[(2S)-2-hydroxybutyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 4-(ethylamino)-N-[(2S)-2-hydroxybutyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 4-(ethylamino)-N-[(2S)-2-hydroxybutyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide is CCNc1ncnc2sc(C(=O)NC[C@@H](O)CC)c(C)c12.
What is the InChIKey of 4-(ethylamino)-N-[(2S)-2-hydroxybutyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is YJDHUHBCNYSKJQ-VIFPVBQESA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-4-9(19)6-16-13(20)11-8(3)10-12(15-5-2)17-7-18-14(10)21-11/h7,9,19H,4-6H2,1-3H3,(H,16,20)(H,15,17,18)/t9-/m0/s1.
What are the key properties of 4-(ethylamino)-N-[(2S)-2-hydroxybutyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
4-(ethylamino)-N-[(2S)-2-hydroxybutyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 308.41 g/mol, XLogP of 1.93, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N-[(2S)-2-hydroxybutyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 26401099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).