6-iodo-N-[1-(2-morpholin-4-ylethyl)piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C17H25IN6O — CID 167780207

IUPAC6-iodo-N-[1-(2-morpholin-4-ylethyl)piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESIc1cc2c(NC3CCCN(CCN4CCOCC4)C3)ncnc2[nH]1
InChIInChI=1S/C17H25IN6O/c18-15-10-14-16(19-12-20-17(14)22-15)21-13-2-1-3-24(11-13)5-4-23-6-8-25-9-7-23/h10,12-13H,1-9,11H2,(H2,19,20,21,22)
InChIKeyHURCDXJCACNPQK-UHFFFAOYSA-N
MW456.33 g/mol
LogP1.77
Rot. Bonds5

About 6-iodo-N-[1-(2-morpholin-4-ylethyl)piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

6-iodo-N-[1-(2-morpholin-4-ylethyl)piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 167780207) has the molecular formula C17H25IN6O and a molecular weight of 456.33 g/mol. Its IUPAC name is 6-iodo-N-[1-(2-morpholin-4-ylethyl)piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-iodo-N-[1-(2-morpholin-4-ylethyl)piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID167780207
Molecular FormulaC17H25IN6O
Molecular Weight456.33 g/mol
Exact Mass456.11
IUPAC Name6-iodo-N-[1-(2-morpholin-4-ylethyl)piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESIc1cc2c(NC3CCCN(CCN4CCOCC4)C3)ncnc2[nH]1
InChIInChI=1S/C17H25IN6O/c18-15-10-14-16(19-12-20-17(14)22-15)21-13-2-1-3-24(11-13)5-4-23-6-8-25-9-7-23/h10,12-13H,1-9,11H2,(H2,19,20,21,22)
InChIKeyHURCDXJCACNPQK-UHFFFAOYSA-N
XLogP1.77
TPSA69.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.33
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 6-iodo-N-[1-(2-morpholin-4-ylethyl)piperidin-3-yl]-7H-pyrrolo[2,3-d]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-[5-[[1-(2-morpholin-4-ylethyl)piperidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]phenol
CID 167988296
N-cyclohexyl-6-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]quinazolin-4-amine
CID 69186801
6-morpholin-4-yl-4-N-[(3S)-1-propylpiperidin-3-yl]pyrimidine-2,4-diamine
CID 95144373
1-(2-morpholin-4-ylethyl)piperidin-3-amine
CID 54593784
2,6-dimethyl-N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 167774541
4-N-cycloheptyl-6-morpholin-4-ylpyrimidine-4,5-diamine
CID 19137769
N-cyclopropyl-6-[3-(morpholin-4-ylmethyl)phenyl]quinazolin-4-amine
CID 68944579
4-N-cycloheptyl-6-N-(2-morpholin-4-ylethyl)-5-nitropyrimidine-4,6-diamine
CID 22538765
6-(2-morpholin-4-ylethyl)pyrimidin-4-amine
CID 83916654
2-(cyclopentylamino)-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide
CID 109249721
6-(methoxymethyl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
CID 118475288
1-(3-morpholin-4-ylpropyl)piperidin-3-ol
CID 111461736

Frequently Asked Questions

What is the IUPAC name of 6-iodo-N-[1-(2-morpholin-4-ylethyl)piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-iodo-N-[1-(2-morpholin-4-ylethyl)piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 167780207) is 6-iodo-N-[1-(2-morpholin-4-ylethyl)piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-iodo-N-[1-(2-morpholin-4-ylethyl)piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-iodo-N-[1-(2-morpholin-4-ylethyl)piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is Ic1cc2c(NC3CCCN(CCN4CCOCC4)C3)ncnc2[nH]1.
What is the InChIKey of 6-iodo-N-[1-(2-morpholin-4-ylethyl)piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is HURCDXJCACNPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25IN6O/c18-15-10-14-16(19-12-20-17(14)22-15)21-13-2-1-3-24(11-13)5-4-23-6-8-25-9-7-23/h10,12-13H,1-9,11H2,(H2,19,20,21,22).
What are the key properties of 6-iodo-N-[1-(2-morpholin-4-ylethyl)piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
6-iodo-N-[1-(2-morpholin-4-ylethyl)piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 456.33 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-N-[1-(2-morpholin-4-ylethyl)piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 167780207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).