5-(5-methyl-1,3-thiazol-2-yl)-2-morpholin-4-yl-4-[[(3R)-piperidin-3-yl]amino]-1H-pyrimidin-6-one

C17H24N6O2S — CID 136983866

IUPAC5-(5-methyl-1,3-thiazol-2-yl)-2-morpholin-4-yl-4-[[(3R)-piperidin-3-yl]amino]-1H-pyrimidin-6-one
SMILESCc1cnc(-c2c(N[C@@H]3CCCNC3)nc(N3CCOCC3)[nH]c2=O)s1
InChIInChI=1S/C17H24N6O2S/c1-11-9-19-16(26-11)13-14(20-12-3-2-4-18-10-12)21-17(22-15(13)24)23-5-7-25-8-6-23/h9,12,18H,2-8,10H2,1H3,(H2,20,21,22,24)/t12-/m1/s1
InChIKeyQQXJJVCRYHSFJV-GFCCVEGCSA-N
MW376.49 g/mol
LogP1.20
Rot. Bonds4

About 5-(5-methyl-1,3-thiazol-2-yl)-2-morpholin-4-yl-4-[[(3R)-piperidin-3-yl]amino]-1H-pyrimidin-6-one

5-(5-methyl-1,3-thiazol-2-yl)-2-morpholin-4-yl-4-[[(3R)-piperidin-3-yl]amino]-1H-pyrimidin-6-one (PubChem CID 136983866) has the molecular formula C17H24N6O2S and a molecular weight of 376.49 g/mol. Its IUPAC name is 5-(5-methyl-1,3-thiazol-2-yl)-2-morpholin-4-yl-4-[[(3R)-piperidin-3-yl]amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(5-methyl-1,3-thiazol-2-yl)-2-morpholin-4-yl-4-[[(3R)-piperidin-3-yl]amino]-1H-pyrimidin-6-one
PubChem CID136983866
Molecular FormulaC17H24N6O2S
Molecular Weight376.49 g/mol
Exact Mass376.17
IUPAC Name5-(5-methyl-1,3-thiazol-2-yl)-2-morpholin-4-yl-4-[[(3R)-piperidin-3-yl]amino]-1H-pyrimidin-6-one
SMILESCc1cnc(-c2c(N[C@@H]3CCCNC3)nc(N3CCOCC3)[nH]c2=O)s1
InChIInChI=1S/C17H24N6O2S/c1-11-9-19-16(26-11)13-14(20-12-3-2-4-18-10-12)21-17(22-15(13)24)23-5-7-25-8-6-23/h9,12,18H,2-8,10H2,1H3,(H2,20,21,22,24)/t12-/m1/s1
InChIKeyQQXJJVCRYHSFJV-GFCCVEGCSA-N
XLogP1.20
TPSA95.17 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.49
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methyl-1,3-thiazol-2-yl)-2-morpholin-4-yl-4-[[(3R)-piperidin-3-yl]amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-(5-methyl-1,3-thiazol-2-yl)-2-morpholin-4-yl-4-[[(3R)-piperidin-3-yl]amino]-1H-pyrimidin-6-one (CID 136983866) is 5-(5-methyl-1,3-thiazol-2-yl)-2-morpholin-4-yl-4-[[(3R)-piperidin-3-yl]amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(5-methyl-1,3-thiazol-2-yl)-2-morpholin-4-yl-4-[[(3R)-piperidin-3-yl]amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-(5-methyl-1,3-thiazol-2-yl)-2-morpholin-4-yl-4-[[(3R)-piperidin-3-yl]amino]-1H-pyrimidin-6-one is Cc1cnc(-c2c(N[C@@H]3CCCNC3)nc(N3CCOCC3)[nH]c2=O)s1.
What is the InChIKey of 5-(5-methyl-1,3-thiazol-2-yl)-2-morpholin-4-yl-4-[[(3R)-piperidin-3-yl]amino]-1H-pyrimidin-6-one?
The InChIKey is QQXJJVCRYHSFJV-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H24N6O2S/c1-11-9-19-16(26-11)13-14(20-12-3-2-4-18-10-12)21-17(22-15(13)24)23-5-7-25-8-6-23/h9,12,18H,2-8,10H2,1H3,(H2,20,21,22,24)/t12-/m1/s1.
What are the key properties of 5-(5-methyl-1,3-thiazol-2-yl)-2-morpholin-4-yl-4-[[(3R)-piperidin-3-yl]amino]-1H-pyrimidin-6-one?
5-(5-methyl-1,3-thiazol-2-yl)-2-morpholin-4-yl-4-[[(3R)-piperidin-3-yl]amino]-1H-pyrimidin-6-one has a molecular weight of 376.49 g/mol, XLogP of 1.20, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methyl-1,3-thiazol-2-yl)-2-morpholin-4-yl-4-[[(3R)-piperidin-3-yl]amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136983866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).