4-chloro-5-[(3,4-dimethylpiperidin-1-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidine

C14H19ClN4 — CID 88536055

IUPAC4-chloro-5-[(3,4-dimethylpiperidin-1-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidine
SMILESCC1CCN(Cc2c[nH]c3ncnc(Cl)c23)CC1C
InChIInChI=1S/C14H19ClN4/c1-9-3-4-19(6-10(9)2)7-11-5-16-14-12(11)13(15)17-8-18-14/h5,8-10H,3-4,6-7H2,1-2H3,(H,16,17,18)
InChIKeyIJYHRFAYZVJKMB-UHFFFAOYSA-N
MW278.79 g/mol
LogP3.09
Rot. Bonds2

About 4-chloro-5-[(3,4-dimethylpiperidin-1-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidine

4-chloro-5-[(3,4-dimethylpiperidin-1-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 88536055) has the molecular formula C14H19ClN4 and a molecular weight of 278.79 g/mol. Its IUPAC name is 4-chloro-5-[(3,4-dimethylpiperidin-1-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-5-[(3,4-dimethylpiperidin-1-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID88536055
Molecular FormulaC14H19ClN4
Molecular Weight278.79 g/mol
Exact Mass278.13
IUPAC Name4-chloro-5-[(3,4-dimethylpiperidin-1-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidine
SMILESCC1CCN(Cc2c[nH]c3ncnc(Cl)c23)CC1C
InChIInChI=1S/C14H19ClN4/c1-9-3-4-19(6-10(9)2)7-11-5-16-14-12(11)13(15)17-8-18-14/h5,8-10H,3-4,6-7H2,1-2H3,(H,16,17,18)
InChIKeyIJYHRFAYZVJKMB-UHFFFAOYSA-N
XLogP3.09
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.79
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-chloro-5-[(3,4-dimethylpiperidin-1-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidine 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

tert-butyl N-[(3S,4S)-1-[(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]-3-methylpiperidin-4-yl]carbamate;methanesulfonic acid
CID 88531587
(3R,4R)-4-azido-1-[(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]piperidin-3-ol
CID 141286274
5-ethyl-4-(3-methylpyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 167907366
N-(3-ethynylphenyl)-5-[(4-methylpiperidin-1-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 88536056
[6-[(3,4-dimethylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine
CID 106907162
tert-butyl N-[1-[[4-(3-chloro-4-fluoroanilino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methyl]piperidin-4-yl]carbamate
CID 67957205
[3-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine
CID 102956575
1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-ol
CID 167868077
1-[[4-(1-benzofuran-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methyl]piperidin-4-amine
CID 141286265
3-chloro-2-[(3,4-dimethylpiperidin-1-yl)methyl]phenol
CID 113346151
1-[(3R,4R)-1-benzyl-4-methylpiperidin-3-yl]-9-(iodomethyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-4-one
CID 89411352
tert-butyl N-[1-[[4-(3,4,5-trifluoroanilino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methyl]piperidin-4-yl]carbamate
CID 67956788

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[(3,4-dimethylpiperidin-1-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-5-[(3,4-dimethylpiperidin-1-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidine (CID 88536055) is 4-chloro-5-[(3,4-dimethylpiperidin-1-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-5-[(3,4-dimethylpiperidin-1-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-5-[(3,4-dimethylpiperidin-1-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidine is CC1CCN(Cc2c[nH]c3ncnc(Cl)c23)CC1C.
What is the InChIKey of 4-chloro-5-[(3,4-dimethylpiperidin-1-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is IJYHRFAYZVJKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4/c1-9-3-4-19(6-10(9)2)7-11-5-16-14-12(11)13(15)17-8-18-14/h5,8-10H,3-4,6-7H2,1-2H3,(H,16,17,18).
What are the key properties of 4-chloro-5-[(3,4-dimethylpiperidin-1-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidine?
4-chloro-5-[(3,4-dimethylpiperidin-1-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 278.79 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[(3,4-dimethylpiperidin-1-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 88536055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).