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

C17H24N6O2S — CID 78151700

IUPAC[2-amino-4-(1-hydroxyhexan-3-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(1,3-thiazol-4-yl)methanone
SMILESCCCC(CCO)Nc1nc(N)nc2c1CN(C(=O)c1cscn1)CC2
InChIInChI=1S/C17H24N6O2S/c1-2-3-11(5-7-24)20-15-12-8-23(16(25)14-9-26-10-19-14)6-4-13(12)21-17(18)22-15/h9-11,24H,2-8H2,1H3,(H3,18,20,21,22)
InChIKeyRKUYNGIBWIWGFR-UHFFFAOYSA-N
MW376.49 g/mol
LogP1.68
Rot. Bonds7

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

[2-amino-4-(1-hydroxyhexan-3-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 78151700) has the molecular formula C17H24N6O2S and a molecular weight of 376.49 g/mol. Its IUPAC name is [2-amino-4-(1-hydroxyhexan-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-hydroxyhexan-3-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID78151700
Molecular FormulaC17H24N6O2S
Molecular Weight376.49 g/mol
Exact Mass376.17
IUPAC Name[2-amino-4-(1-hydroxyhexan-3-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(1,3-thiazol-4-yl)methanone
SMILESCCCC(CCO)Nc1nc(N)nc2c1CN(C(=O)c1cscn1)CC2
InChIInChI=1S/C17H24N6O2S/c1-2-3-11(5-7-24)20-15-12-8-23(16(25)14-9-26-10-19-14)6-4-13(12)21-17(18)22-15/h9-11,24H,2-8H2,1H3,(H3,18,20,21,22)
InChIKeyRKUYNGIBWIWGFR-UHFFFAOYSA-N
XLogP1.68
TPSA117.26 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.49
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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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]-(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]-(1,3-thiazol-4-yl)methanone (CID 78151700) is [2-amino-4-(1-hydroxyhexan-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-hydroxyhexan-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-hydroxyhexan-3-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(1,3-thiazol-4-yl)methanone is CCCC(CCO)Nc1nc(N)nc2c1CN(C(=O)c1cscn1)CC2.
What is the InChIKey of [2-amino-4-(1-hydroxyhexan-3-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is RKUYNGIBWIWGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2S/c1-2-3-11(5-7-24)20-15-12-8-23(16(25)14-9-26-10-19-14)6-4-13(12)21-17(18)22-15/h9-11,24H,2-8H2,1H3,(H3,18,20,21,22).
What are the key properties of [2-amino-4-(1-hydroxyhexan-3-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(1,3-thiazol-4-yl)methanone?
[2-amino-4-(1-hydroxyhexan-3-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 376.49 g/mol, XLogP of 1.68, 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]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 78151700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).