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

C18H26N6O2S — CID 118529048

IUPAC[2-amino-4-(1-hydroxyheptan-3-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(1,3-thiazol-4-yl)methanone
SMILESCCCCC(CCO)Nc1nc(N)nc2c1CN(C(=O)c1cscn1)CC2
InChIInChI=1S/C18H26N6O2S/c1-2-3-4-12(6-8-25)21-16-13-9-24(17(26)15-10-27-11-20-15)7-5-14(13)22-18(19)23-16/h10-12,25H,2-9H2,1H3,(H3,19,21,22,23)
InChIKeyHVLCDPHTBMMKTG-UHFFFAOYSA-N
MW390.51 g/mol
LogP2.07
Rot. Bonds8

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

[2-amino-4-(1-hydroxyheptan-3-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 118529048) has the molecular formula C18H26N6O2S and a molecular weight of 390.51 g/mol. Its IUPAC name is [2-amino-4-(1-hydroxyheptan-3-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[2-amino-4-(1-hydroxyheptan-3-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID118529048
Molecular FormulaC18H26N6O2S
Molecular Weight390.51 g/mol
Exact Mass390.18
IUPAC Name[2-amino-4-(1-hydroxyheptan-3-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(1,3-thiazol-4-yl)methanone
SMILESCCCCC(CCO)Nc1nc(N)nc2c1CN(C(=O)c1cscn1)CC2
InChIInChI=1S/C18H26N6O2S/c1-2-3-4-12(6-8-25)21-16-13-9-24(17(26)15-10-27-11-20-15)7-5-14(13)22-18(19)23-16/h10-12,25H,2-9H2,1H3,(H3,19,21,22,23)
InChIKeyHVLCDPHTBMMKTG-UHFFFAOYSA-N
XLogP2.07
TPSA117.26 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze [2-amino-4-(1-hydroxyheptan-3-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(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-hydroxyheptan-3-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [2-amino-4-(1-hydroxyheptan-3-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(1,3-thiazol-4-yl)methanone (CID 118529048) is [2-amino-4-(1-hydroxyheptan-3-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [2-amino-4-(1-hydroxyheptan-3-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [2-amino-4-(1-hydroxyheptan-3-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(1,3-thiazol-4-yl)methanone is CCCCC(CCO)Nc1nc(N)nc2c1CN(C(=O)c1cscn1)CC2.
What is the InChIKey of [2-amino-4-(1-hydroxyheptan-3-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is HVLCDPHTBMMKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O2S/c1-2-3-4-12(6-8-25)21-16-13-9-24(17(26)15-10-27-11-20-15)7-5-14(13)22-18(19)23-16/h10-12,25H,2-9H2,1H3,(H3,19,21,22,23).
What are the key properties of [2-amino-4-(1-hydroxyheptan-3-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(1,3-thiazol-4-yl)methanone?
[2-amino-4-(1-hydroxyheptan-3-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 390.51 g/mol, XLogP of 2.07, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-4-(1-hydroxyheptan-3-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 118529048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).