1-[[4-(7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]methyl]piperidin-4-amine

C18H21N5 — CID 141396568

IUPAC1-[[4-(7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]methyl]piperidin-4-amine
SMILESNC1CCN(Cc2ccc(-c3cc4cncnc4[nH]3)cc2)CC1
InChIInChI=1S/C18H21N5/c19-16-5-7-23(8-6-16)11-13-1-3-14(4-2-13)17-9-15-10-20-12-21-18(15)22-17/h1-4,9-10,12,16H,5-8,11,19H2,(H,20,21,22)
InChIKeyJKRGXQYRPGWSMS-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.55
Rot. Bonds3

About 1-[[4-(7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]methyl]piperidin-4-amine

1-[[4-(7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]methyl]piperidin-4-amine (PubChem CID 141396568) has the molecular formula C18H21N5 and a molecular weight of 307.40 g/mol. Its IUPAC name is 1-[[4-(7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[[4-(7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]methyl]piperidin-4-amine
PubChem CID141396568
Molecular FormulaC18H21N5
Molecular Weight307.40 g/mol
Exact Mass307.18
IUPAC Name1-[[4-(7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]methyl]piperidin-4-amine
SMILESNC1CCN(Cc2ccc(-c3cc4cncnc4[nH]3)cc2)CC1
InChIInChI=1S/C18H21N5/c19-16-5-7-23(8-6-16)11-13-1-3-14(4-2-13)17-9-15-10-20-12-21-18(15)22-17/h1-4,9-10,12,16H,5-8,11,19H2,(H,20,21,22)
InChIKeyJKRGXQYRPGWSMS-UHFFFAOYSA-N
XLogP2.55
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[4-(7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]methyl]piperidin-4-amine with MolForge

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Related Compounds

6-[4-(piperazin-1-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine
CID 141146133
6-[4-(4-methylpiperazin-1-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine
CID 150957046
1-[(6-chloro-3-pyridinyl)methyl]piperidin-4-amine
CID 43556713
1-[(4-methylphenyl)methyl]piperidin-4-amine;hydrochloride
CID 17221614
1-[(6-bromo-3-pyridinyl)methyl]piperidin-4-amine;hydrochloride
CID 71644395
1-[[4-(4-chlorophenyl)cinnolin-6-yl]methyl]piperidin-4-amine
CID 122457687
1-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]piperidin-4-amine
CID 120834479
4-[[4-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]methyl]piperazine-1-carboxylic acid
CID 175073157
N-methyl-6-[4-(morpholin-4-ylmethyl)phenyl]-N-(oxan-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 171513463
1-[(5-chloro-2-pyridinyl)methyl]piperidin-4-amine
CID 175660028
1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-amine
CID 175659850
6-[4-[(3,5-dimethylpiperazin-1-yl)methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 69313848

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]methyl]piperidin-4-amine?
The IUPAC name of 1-[[4-(7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]methyl]piperidin-4-amine (CID 141396568) is 1-[[4-(7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]methyl]piperidin-4-amine.
What is the SMILES notation for 1-[[4-(7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]methyl]piperidin-4-amine?
The canonical SMILES for 1-[[4-(7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]methyl]piperidin-4-amine is NC1CCN(Cc2ccc(-c3cc4cncnc4[nH]3)cc2)CC1.
What is the InChIKey of 1-[[4-(7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]methyl]piperidin-4-amine?
The InChIKey is JKRGXQYRPGWSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5/c19-16-5-7-23(8-6-16)11-13-1-3-14(4-2-13)17-9-15-10-20-12-21-18(15)22-17/h1-4,9-10,12,16H,5-8,11,19H2,(H,20,21,22).
What are the key properties of 1-[[4-(7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]methyl]piperidin-4-amine?
1-[[4-(7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]methyl]piperidin-4-amine has a molecular weight of 307.40 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]methyl]piperidin-4-amine is sourced from PubChem (CID 141396568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).