[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(2-propyl-1,3-thiazol-4-yl)methanone

C18H26N6OS — CID 56869927

IUPAC[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
SMILESCCCc1nc(C(=O)N2CCc3c(nc(N(C)C)nc3N(C)C)C2)cs1
InChIInChI=1S/C18H26N6OS/c1-6-7-15-19-14(11-26-15)17(25)24-9-8-12-13(10-24)20-18(23(4)5)21-16(12)22(2)3/h11H,6-10H2,1-5H3
InChIKeyNCVHFQDDVFVSOD-UHFFFAOYSA-N
MW374.51 g/mol
LogP2.22
Rot. Bonds5

About [2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(2-propyl-1,3-thiazol-4-yl)methanone

[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(2-propyl-1,3-thiazol-4-yl)methanone (PubChem CID 56869927) has the molecular formula C18H26N6OS and a molecular weight of 374.51 g/mol. Its IUPAC name is [2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(2-propyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
PubChem CID56869927
Molecular FormulaC18H26N6OS
Molecular Weight374.51 g/mol
Exact Mass374.19
IUPAC Name[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
SMILESCCCc1nc(C(=O)N2CCc3c(nc(N(C)C)nc3N(C)C)C2)cs1
InChIInChI=1S/C18H26N6OS/c1-6-7-15-19-14(11-26-15)17(25)24-9-8-12-13(10-24)20-18(23(4)5)21-16(12)22(2)3/h11H,6-10H2,1-5H3
InChIKeyNCVHFQDDVFVSOD-UHFFFAOYSA-N
XLogP2.22
TPSA65.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(2-propyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(2-propyl-1,3-thiazol-4-yl)methanone (CID 56869927) is [2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(2-propyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(2-propyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(2-propyl-1,3-thiazol-4-yl)methanone is CCCc1nc(C(=O)N2CCc3c(nc(N(C)C)nc3N(C)C)C2)cs1.
What is the InChIKey of [2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(2-propyl-1,3-thiazol-4-yl)methanone?
The InChIKey is NCVHFQDDVFVSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6OS/c1-6-7-15-19-14(11-26-15)17(25)24-9-8-12-13(10-24)20-18(23(4)5)21-16(12)22(2)3/h11H,6-10H2,1-5H3.
What are the key properties of [2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(2-propyl-1,3-thiazol-4-yl)methanone?
[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(2-propyl-1,3-thiazol-4-yl)methanone has a molecular weight of 374.51 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(2-propyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 56869927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).