N,N,5-trimethyl-2-[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyrimidin-4-amine

C18H25N5O — CID 95128247

IUPACN,N,5-trimethyl-2-[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyrimidin-4-amine
SMILESCc1cnc(N2CCC[C@H](OCc3cccnc3)C2)nc1N(C)C
InChIInChI=1S/C18H25N5O/c1-14-10-20-18(21-17(14)22(2)3)23-9-5-7-16(12-23)24-13-15-6-4-8-19-11-15/h4,6,8,10-11,16H,5,7,9,12-13H2,1-3H3/t16-/m0/s1
InChIKeySRLDKJPRXUHJSX-INIZCTEOSA-N
MW327.43 g/mol
LogP2.43
Rot. Bonds5

About N,N,5-trimethyl-2-[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyrimidin-4-amine

N,N,5-trimethyl-2-[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyrimidin-4-amine (PubChem CID 95128247) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is N,N,5-trimethyl-2-[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN,N,5-trimethyl-2-[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyrimidin-4-amine
PubChem CID95128247
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC NameN,N,5-trimethyl-2-[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyrimidin-4-amine
SMILESCc1cnc(N2CCC[C@H](OCc3cccnc3)C2)nc1N(C)C
InChIInChI=1S/C18H25N5O/c1-14-10-20-18(21-17(14)22(2)3)23-9-5-7-16(12-23)24-13-15-6-4-8-19-11-15/h4,6,8,10-11,16H,5,7,9,12-13H2,1-3H3/t16-/m0/s1
InChIKeySRLDKJPRXUHJSX-INIZCTEOSA-N
XLogP2.43
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N,N,5-trimethyl-2-[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyrimidin-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

4-methyl-6-[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyrimidin-2-amine
CID 39817678
6-methyl-2-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]-1,3-benzothiazole
CID 70745111
5-(methylsulfanylmethyl)-2-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyridine
CID 96574780
N,N-dimethyl-5-[[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]pyridin-2-amine
CID 95714836
5-(3-chlorophenyl)-3-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]-1,2,4-triazine
CID 25287947
4-methyl-6-phenoxy-2-[3-(pyridin-3-ylmethoxy)pyrrolidin-1-yl]pyrimidine
CID 154844891
4-chloro-N,N-dimethyl-5-[[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 95718512
5-(1-benzofuran-2-yl)-3-[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]-1,2,4-triazine
CID 42291886
N-cyclopropyl-2-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyridine-4-carboxamide
CID 72876721
3-[[(3S)-1-(2,2,6,6-tetramethylpiperidin-4-yl)piperidin-3-yl]oxymethyl]pyridine
CID 95228930
(5-chloro-2-methylphenyl)-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 96577943
[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]-(2-pyrrolidin-1-ylphenyl)methanone
CID 96582328

Frequently Asked Questions

What is the IUPAC name of N,N,5-trimethyl-2-[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyrimidin-4-amine?
The IUPAC name of N,N,5-trimethyl-2-[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyrimidin-4-amine (CID 95128247) is N,N,5-trimethyl-2-[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for N,N,5-trimethyl-2-[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for N,N,5-trimethyl-2-[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyrimidin-4-amine is Cc1cnc(N2CCC[C@H](OCc3cccnc3)C2)nc1N(C)C.
What is the InChIKey of N,N,5-trimethyl-2-[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyrimidin-4-amine?
The InChIKey is SRLDKJPRXUHJSX-INIZCTEOSA-N. The full InChI is InChI=1S/C18H25N5O/c1-14-10-20-18(21-17(14)22(2)3)23-9-5-7-16(12-23)24-13-15-6-4-8-19-11-15/h4,6,8,10-11,16H,5,7,9,12-13H2,1-3H3/t16-/m0/s1.
What are the key properties of N,N,5-trimethyl-2-[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyrimidin-4-amine?
N,N,5-trimethyl-2-[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyrimidin-4-amine has a molecular weight of 327.43 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,5-trimethyl-2-[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 95128247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).