N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]-N,6-dimethylpyrimidin-4-amine

C18H25N5OS — CID 126889438

IUPACN-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]-N,6-dimethylpyrimidin-4-amine
SMILESCc1cc(N(C)C2CCN(Cc3nc4c(s3)COCC4)CC2)ncn1
InChIInChI=1S/C18H25N5OS/c1-13-9-17(20-12-19-13)22(2)14-3-6-23(7-4-14)10-18-21-15-5-8-24-11-16(15)25-18/h9,12,14H,3-8,10-11H2,1-2H3
InChIKeyKCKQVZKCPBZEKP-UHFFFAOYSA-N
MW359.50 g/mol
LogP2.42
Rot. Bonds4

About N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]-N,6-dimethylpyrimidin-4-amine

N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]-N,6-dimethylpyrimidin-4-amine (PubChem CID 126889438) has the molecular formula C18H25N5OS and a molecular weight of 359.50 g/mol. Its IUPAC name is N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]-N,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]-N,6-dimethylpyrimidin-4-amine
PubChem CID126889438
Molecular FormulaC18H25N5OS
Molecular Weight359.50 g/mol
Exact Mass359.18
IUPAC NameN-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]-N,6-dimethylpyrimidin-4-amine
SMILESCc1cc(N(C)C2CCN(Cc3nc4c(s3)COCC4)CC2)ncn1
InChIInChI=1S/C18H25N5OS/c1-13-9-17(20-12-19-13)22(2)14-3-6-23(7-4-14)10-18-21-15-5-8-24-11-16(15)25-18/h9,12,14H,3-8,10-11H2,1-2H3
InChIKeyKCKQVZKCPBZEKP-UHFFFAOYSA-N
XLogP2.42
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]-N,6-dimethylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N,2-trimethyl-6-[4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]pyrimidin-4-amine
CID 110271890
N-[1-({4H,6H,7H-pyrano[4,3-d][1,3]thiazol-2-yl}methyl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 126889774
N-(1-{4H,6H,7H-pyrano[4,3-d][1,3]thiazol-2-yl}piperidin-4-yl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 126889855
N-cyclopropyl-N-[1-({4H,6H,7H-pyrano[4,3-d][1,3]thiazol-2-yl}methyl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 126890945
N,N,2-trimethyl-6-[(2S)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]pyrimidin-4-amine
CID 95847635
N,N,2-trimethyl-6-[(2R)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]pyrimidin-4-amine
CID 95847636
2-(2,6-Dimethylpyrimidin-4-yl)-4-(1,3-thiazol-4-ylmethyl)morpholine
CID 110115901
(2S)-2-(2,6-dimethylpyrimidin-4-yl)-4-(1,3-thiazol-4-ylmethyl)morpholine
CID 125001758
(2R)-2-(2,6-dimethylpyrimidin-4-yl)-4-(1,3-thiazol-4-ylmethyl)morpholine
CID 125001759
N-[1-({4H,6H,7H-pyrano[4,3-d][1,3]thiazol-2-yl}methyl)piperidin-4-yl]pyrimidin-4-amine
CID 126887325
N-(1-{4H,6H,7H-pyrano[4,3-d][1,3]thiazol-2-yl}piperidin-4-yl)pyrimidin-4-amine
CID 126887409
6-methyl-N-[1-({4H,6H,7H-pyrano[4,3-d][1,3]thiazol-2-yl}methyl)piperidin-4-yl]pyrimidin-4-amine
CID 126887749

Frequently Asked Questions

What is the IUPAC name of N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]-N,6-dimethylpyrimidin-4-amine?
The IUPAC name of N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]-N,6-dimethylpyrimidin-4-amine (CID 126889438) is N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]-N,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]-N,6-dimethylpyrimidin-4-amine?
The canonical SMILES for N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]-N,6-dimethylpyrimidin-4-amine is Cc1cc(N(C)C2CCN(Cc3nc4c(s3)COCC4)CC2)ncn1.
What is the InChIKey of N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]-N,6-dimethylpyrimidin-4-amine?
The InChIKey is KCKQVZKCPBZEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5OS/c1-13-9-17(20-12-19-13)22(2)14-3-6-23(7-4-14)10-18-21-15-5-8-24-11-16(15)25-18/h9,12,14H,3-8,10-11H2,1-2H3.
What are the key properties of N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]-N,6-dimethylpyrimidin-4-amine?
N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]-N,6-dimethylpyrimidin-4-amine has a molecular weight of 359.50 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]-N,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 126889438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).