N-[(1S,2S)-2-aminocyclopropyl]-5-methyl-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide

C19H22N6O2S — CID 58413376

IUPACN-[(1S,2S)-2-aminocyclopropyl]-5-methyl-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)N[C@H]2C[C@@H]2N)sc2ncnc(Nc3cccnc3OC(C)C)c12
InChIInChI=1S/C19H22N6O2S/c1-9(2)27-18-12(5-4-6-21-18)24-16-14-10(3)15(28-19(14)23-8-22-16)17(26)25-13-7-11(13)20/h4-6,8-9,11,13H,7,20H2,1-3H3,(H,25,26)(H,22,23,24)/t11-,13-/m0/s1
InChIKeyLMZVXFZAWBFAMO-AAEUAGOBSA-N
MW398.49 g/mol
LogP2.75
Rot. Bonds6

About N-[(1S,2S)-2-aminocyclopropyl]-5-methyl-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide

N-[(1S,2S)-2-aminocyclopropyl]-5-methyl-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 58413376) has the molecular formula C19H22N6O2S and a molecular weight of 398.49 g/mol. Its IUPAC name is N-[(1S,2S)-2-aminocyclopropyl]-5-methyl-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-aminocyclopropyl]-5-methyl-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID58413376
Molecular FormulaC19H22N6O2S
Molecular Weight398.49 g/mol
Exact Mass398.15
IUPAC NameN-[(1S,2S)-2-aminocyclopropyl]-5-methyl-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)N[C@H]2C[C@@H]2N)sc2ncnc(Nc3cccnc3OC(C)C)c12
InChIInChI=1S/C19H22N6O2S/c1-9(2)27-18-12(5-4-6-21-18)24-16-14-10(3)15(28-19(14)23-8-22-16)17(26)25-13-7-11(13)20/h4-6,8-9,11,13H,7,20H2,1-3H3,(H,25,26)(H,22,23,24)/t11-,13-/m0/s1
InChIKeyLMZVXFZAWBFAMO-AAEUAGOBSA-N
XLogP2.75
TPSA115.05 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-aminocyclopropyl]-5-methyl-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-[(1S,2S)-2-aminocyclopropyl]-5-methyl-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide (CID 58413376) is N-[(1S,2S)-2-aminocyclopropyl]-5-methyl-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[(1S,2S)-2-aminocyclopropyl]-5-methyl-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-[(1S,2S)-2-aminocyclopropyl]-5-methyl-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide is Cc1c(C(=O)N[C@H]2C[C@@H]2N)sc2ncnc(Nc3cccnc3OC(C)C)c12.
What is the InChIKey of N-[(1S,2S)-2-aminocyclopropyl]-5-methyl-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is LMZVXFZAWBFAMO-AAEUAGOBSA-N. The full InChI is InChI=1S/C19H22N6O2S/c1-9(2)27-18-12(5-4-6-21-18)24-16-14-10(3)15(28-19(14)23-8-22-16)17(26)25-13-7-11(13)20/h4-6,8-9,11,13H,7,20H2,1-3H3,(H,25,26)(H,22,23,24)/t11-,13-/m0/s1.
What are the key properties of N-[(1S,2S)-2-aminocyclopropyl]-5-methyl-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide?
N-[(1S,2S)-2-aminocyclopropyl]-5-methyl-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 398.49 g/mol, XLogP of 2.75, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-aminocyclopropyl]-5-methyl-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 58413376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).