methyl 2-[2-[[(3R)-1-benzylpiperidin-3-yl]amino]pyrimidin-4-yl]acetate

C19H24N4O2 — CID 129433233

IUPACmethyl 2-[2-[[(3R)-1-benzylpiperidin-3-yl]amino]pyrimidin-4-yl]acetate
SMILESCOC(=O)Cc1ccnc(N[C@@H]2CCCN(Cc3ccccc3)C2)n1
InChIInChI=1S/C19H24N4O2/c1-25-18(24)12-16-9-10-20-19(21-16)22-17-8-5-11-23(14-17)13-15-6-3-2-4-7-15/h2-4,6-7,9-10,17H,5,8,11-14H2,1H3,(H,20,21,22)/t17-/m1/s1
InChIKeyKWURGENBRXXILN-QGZVFWFLSA-N
MW340.43 g/mol
LogP2.27
Rot. Bonds6

About methyl 2-[2-[[(3R)-1-benzylpiperidin-3-yl]amino]pyrimidin-4-yl]acetate

methyl 2-[2-[[(3R)-1-benzylpiperidin-3-yl]amino]pyrimidin-4-yl]acetate (PubChem CID 129433233) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is methyl 2-[2-[[(3R)-1-benzylpiperidin-3-yl]amino]pyrimidin-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[[(3R)-1-benzylpiperidin-3-yl]amino]pyrimidin-4-yl]acetate
PubChem CID129433233
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Namemethyl 2-[2-[[(3R)-1-benzylpiperidin-3-yl]amino]pyrimidin-4-yl]acetate
SMILESCOC(=O)Cc1ccnc(N[C@@H]2CCCN(Cc3ccccc3)C2)n1
InChIInChI=1S/C19H24N4O2/c1-25-18(24)12-16-9-10-20-19(21-16)22-17-8-5-11-23(14-17)13-15-6-3-2-4-7-15/h2-4,6-7,9-10,17H,5,8,11-14H2,1H3,(H,20,21,22)/t17-/m1/s1
InChIKeyKWURGENBRXXILN-QGZVFWFLSA-N
XLogP2.27
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(azepan-1-yl)-N-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]pyrimidin-2-amine
CID 23086216
4-methoxy-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidin-2-amine
CID 125435533
4-(azepan-1-yl)-N-[(3R)-1-benzylpyrrolidin-3-yl]pyrimidin-2-amine
CID 66903517
3-[[3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]piperidin-1-yl]methyl]phenol
CID 23086371
N-[(3S)-1-benzylpiperidin-3-yl]acetamide
CID 58526543
4-(azepan-1-yl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]pyrimidin-2-amine
CID 23086418
N-(1-benzylpiperidin-3-yl)-5-fluoropyrimidin-2-amine
CID 115749931
1-(1-benzylpiperidin-3-yl)-3-cyclobutylurea
CID 115617829
N-[2-[(1-benzylpiperidin-3-yl)amino]ethyl]acetamide
CID 43145152
methyl (E)-3-[(1-benzylpiperidin-3-yl)amino]prop-2-enoate
CID 103254743
(3R)-1-benzyl-N-methylpiperidin-3-amine;sulfane
CID 162106706
N-(1-benzylpiperidin-3-yl)-2-chloropyridin-4-amine
CID 80522263

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[[(3R)-1-benzylpiperidin-3-yl]amino]pyrimidin-4-yl]acetate?
The IUPAC name of methyl 2-[2-[[(3R)-1-benzylpiperidin-3-yl]amino]pyrimidin-4-yl]acetate (CID 129433233) is methyl 2-[2-[[(3R)-1-benzylpiperidin-3-yl]amino]pyrimidin-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-[[(3R)-1-benzylpiperidin-3-yl]amino]pyrimidin-4-yl]acetate?
The canonical SMILES for methyl 2-[2-[[(3R)-1-benzylpiperidin-3-yl]amino]pyrimidin-4-yl]acetate is COC(=O)Cc1ccnc(N[C@@H]2CCCN(Cc3ccccc3)C2)n1.
What is the InChIKey of methyl 2-[2-[[(3R)-1-benzylpiperidin-3-yl]amino]pyrimidin-4-yl]acetate?
The InChIKey is KWURGENBRXXILN-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-25-18(24)12-16-9-10-20-19(21-16)22-17-8-5-11-23(14-17)13-15-6-3-2-4-7-15/h2-4,6-7,9-10,17H,5,8,11-14H2,1H3,(H,20,21,22)/t17-/m1/s1.
What are the key properties of methyl 2-[2-[[(3R)-1-benzylpiperidin-3-yl]amino]pyrimidin-4-yl]acetate?
methyl 2-[2-[[(3R)-1-benzylpiperidin-3-yl]amino]pyrimidin-4-yl]acetate has a molecular weight of 340.43 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[[(3R)-1-benzylpiperidin-3-yl]amino]pyrimidin-4-yl]acetate is sourced from PubChem (CID 129433233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).