N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

C18H20N6S — CID 56747345

IUPACN-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
SMILESCCc1nnc(CNc2nc(-c3ccccc3)nc3c2CCNC3)s1
InChIInChI=1S/C18H20N6S/c1-2-15-23-24-16(25-15)11-20-18-13-8-9-19-10-14(13)21-17(22-18)12-6-4-3-5-7-12/h3-7,19H,2,8-11H2,1H3,(H,20,21,22)
InChIKeyVSSXGKFOEMJUSF-UHFFFAOYSA-N
MW352.47 g/mol
LogP2.82
Rot. Bonds5

About N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine (PubChem CID 56747345) has the molecular formula C18H20N6S and a molecular weight of 352.47 g/mol. Its IUPAC name is N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
PubChem CID56747345
Molecular FormulaC18H20N6S
Molecular Weight352.47 g/mol
Exact Mass352.15
IUPAC NameN-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
SMILESCCc1nnc(CNc2nc(-c3ccccc3)nc3c2CCNC3)s1
InChIInChI=1S/C18H20N6S/c1-2-15-23-24-16(25-15)11-20-18-13-8-9-19-10-14(13)21-17(22-18)12-6-4-3-5-7-12/h3-7,19H,2,8-11H2,1H3,(H,20,21,22)
InChIKeyVSSXGKFOEMJUSF-UHFFFAOYSA-N
XLogP2.82
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.47
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-ethyl-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742459
N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 56740809
2-methyl-N-[(2-phenylphenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 56748214
N-(2-morpholin-4-ylethyl)-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 56758389
N-[(2S)-1-methoxypropan-2-yl]-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 95727447
2-(3-chlorophenyl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 166205511
4-chloro-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 115045658
2-phenyl-N-[(2S)-2-pyridin-3-yloxypropyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 95214429
2-phenyl-N-[(2R)-2-pyridin-3-yloxypropyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 95214430
2-methyl-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 133472475
3-[4-(benzylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]-2-methyl-1-benzothiophene-7-carboxamide
CID 118239690
1-[3-[(2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one
CID 56760644

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine (CID 56747345) is N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine is CCc1nnc(CNc2nc(-c3ccccc3)nc3c2CCNC3)s1.
What is the InChIKey of N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is VSSXGKFOEMJUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6S/c1-2-15-23-24-16(25-15)11-20-18-13-8-9-19-10-14(13)21-17(22-18)12-6-4-3-5-7-12/h3-7,19H,2,8-11H2,1H3,(H,20,21,22).
What are the key properties of N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 352.47 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56747345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).