[4-[2-(2-amino-1,3-thiazol-4-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-cyclopropylmethanone

C16H20N6OS — CID 56865157

IUPAC[4-[2-(2-amino-1,3-thiazol-4-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-cyclopropylmethanone
SMILESNc1nc(CCNc2ncnc3c2CCN(C(=O)C2CC2)C3)cs1
InChIInChI=1S/C16H20N6OS/c17-16-21-11(8-24-16)3-5-18-14-12-4-6-22(15(23)10-1-2-10)7-13(12)19-9-20-14/h8-10H,1-7H2,(H2,17,21)(H,18,19,20)
InChIKeyVDOKHLMHONUPLA-UHFFFAOYSA-N
MW344.44 g/mol
LogP1.46
Rot. Bonds5

About [4-[2-(2-amino-1,3-thiazol-4-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-cyclopropylmethanone

[4-[2-(2-amino-1,3-thiazol-4-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-cyclopropylmethanone (PubChem CID 56865157) has the molecular formula C16H20N6OS and a molecular weight of 344.44 g/mol. Its IUPAC name is [4-[2-(2-amino-1,3-thiazol-4-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[4-[2-(2-amino-1,3-thiazol-4-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-cyclopropylmethanone
PubChem CID56865157
Molecular FormulaC16H20N6OS
Molecular Weight344.44 g/mol
Exact Mass344.14
IUPAC Name[4-[2-(2-amino-1,3-thiazol-4-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-cyclopropylmethanone
SMILESNc1nc(CCNc2ncnc3c2CCN(C(=O)C2CC2)C3)cs1
InChIInChI=1S/C16H20N6OS/c17-16-21-11(8-24-16)3-5-18-14-12-4-6-22(15(23)10-1-2-10)7-13(12)19-9-20-14/h8-10H,1-7H2,(H2,17,21)(H,18,19,20)
InChIKeyVDOKHLMHONUPLA-UHFFFAOYSA-N
XLogP1.46
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(2-amino-1,3-thiazol-4-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-cyclopropylmethanone?
The IUPAC name of [4-[2-(2-amino-1,3-thiazol-4-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-cyclopropylmethanone (CID 56865157) is [4-[2-(2-amino-1,3-thiazol-4-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-cyclopropylmethanone.
What is the SMILES notation for [4-[2-(2-amino-1,3-thiazol-4-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-cyclopropylmethanone?
The canonical SMILES for [4-[2-(2-amino-1,3-thiazol-4-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-cyclopropylmethanone is Nc1nc(CCNc2ncnc3c2CCN(C(=O)C2CC2)C3)cs1.
What is the InChIKey of [4-[2-(2-amino-1,3-thiazol-4-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-cyclopropylmethanone?
The InChIKey is VDOKHLMHONUPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6OS/c17-16-21-11(8-24-16)3-5-18-14-12-4-6-22(15(23)10-1-2-10)7-13(12)19-9-20-14/h8-10H,1-7H2,(H2,17,21)(H,18,19,20).
What are the key properties of [4-[2-(2-amino-1,3-thiazol-4-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-cyclopropylmethanone?
[4-[2-(2-amino-1,3-thiazol-4-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-cyclopropylmethanone has a molecular weight of 344.44 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2-amino-1,3-thiazol-4-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-cyclopropylmethanone is sourced from PubChem (CID 56865157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).