[2-amino-4-(1-hydroxyhexan-3-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-methyl-1,3-thiazol-4-yl)methanone

C18H26N6O2S — CID 78151736

IUPAC[2-amino-4-(1-hydroxyhexan-3-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCCCC(CCO)Nc1nc(N)nc2c1CN(C(=O)c1csc(C)n1)CC2
InChIInChI=1S/C18H26N6O2S/c1-3-4-12(6-8-25)21-16-13-9-24(7-5-14(13)22-18(19)23-16)17(26)15-10-27-11(2)20-15/h10,12,25H,3-9H2,1-2H3,(H3,19,21,22,23)
InChIKeyNGQVCINKVAWYDL-UHFFFAOYSA-N
MW390.51 g/mol
LogP1.99
Rot. Bonds7

About [2-amino-4-(1-hydroxyhexan-3-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-methyl-1,3-thiazol-4-yl)methanone

[2-amino-4-(1-hydroxyhexan-3-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-methyl-1,3-thiazol-4-yl)methanone (PubChem CID 78151736) has the molecular formula C18H26N6O2S and a molecular weight of 390.51 g/mol. Its IUPAC name is [2-amino-4-(1-hydroxyhexan-3-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-methyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[2-amino-4-(1-hydroxyhexan-3-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
PubChem CID78151736
Molecular FormulaC18H26N6O2S
Molecular Weight390.51 g/mol
Exact Mass390.18
IUPAC Name[2-amino-4-(1-hydroxyhexan-3-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCCCC(CCO)Nc1nc(N)nc2c1CN(C(=O)c1csc(C)n1)CC2
InChIInChI=1S/C18H26N6O2S/c1-3-4-12(6-8-25)21-16-13-9-24(7-5-14(13)22-18(19)23-16)17(26)15-10-27-11(2)20-15/h10,12,25H,3-9H2,1-2H3,(H3,19,21,22,23)
InChIKeyNGQVCINKVAWYDL-UHFFFAOYSA-N
XLogP1.99
TPSA117.26 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze [2-amino-4-(1-hydroxyhexan-3-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-methyl-1,3-thiazol-4-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-amino-4-(1-hydroxyhexan-3-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [2-amino-4-(1-hydroxyhexan-3-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-methyl-1,3-thiazol-4-yl)methanone (CID 78151736) is [2-amino-4-(1-hydroxyhexan-3-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-methyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [2-amino-4-(1-hydroxyhexan-3-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [2-amino-4-(1-hydroxyhexan-3-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-methyl-1,3-thiazol-4-yl)methanone is CCCC(CCO)Nc1nc(N)nc2c1CN(C(=O)c1csc(C)n1)CC2.
What is the InChIKey of [2-amino-4-(1-hydroxyhexan-3-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The InChIKey is NGQVCINKVAWYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O2S/c1-3-4-12(6-8-25)21-16-13-9-24(7-5-14(13)22-18(19)23-16)17(26)15-10-27-11(2)20-15/h10,12,25H,3-9H2,1-2H3,(H3,19,21,22,23).
What are the key properties of [2-amino-4-(1-hydroxyhexan-3-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
[2-amino-4-(1-hydroxyhexan-3-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-methyl-1,3-thiazol-4-yl)methanone has a molecular weight of 390.51 g/mol, XLogP of 1.99, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-4-(1-hydroxyhexan-3-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-methyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 78151736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).