4-chloro-5-(3-chloropropyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine

C9H10Cl2N4 — CID 102311367

IUPAC4-chloro-5-(3-chloropropyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESNc1nc(Cl)c2c(CCCCl)c[nH]c2n1
InChIInChI=1S/C9H10Cl2N4/c10-3-1-2-5-4-13-8-6(5)7(11)14-9(12)15-8/h4H,1-3H2,(H3,12,13,14,15)
InChIKeyUNLDPZBACKLADO-UHFFFAOYSA-N
MW245.11 g/mol
LogP2.36
Rot. Bonds3

About 4-chloro-5-(3-chloropropyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine

4-chloro-5-(3-chloropropyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 102311367) has the molecular formula C9H10Cl2N4 and a molecular weight of 245.11 g/mol. Its IUPAC name is 4-chloro-5-(3-chloropropyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-5-(3-chloropropyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID102311367
Molecular FormulaC9H10Cl2N4
Molecular Weight245.11 g/mol
Exact Mass244.03
IUPAC Name4-chloro-5-(3-chloropropyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESNc1nc(Cl)c2c(CCCCl)c[nH]c2n1
InChIInChI=1S/C9H10Cl2N4/c10-3-1-2-5-4-13-8-6(5)7(11)14-9(12)15-8/h4H,1-3H2,(H3,12,13,14,15)
InChIKeyUNLDPZBACKLADO-UHFFFAOYSA-N
XLogP2.36
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.11
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-N,4-N-dimethyl-1-N-(5-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine
CID 137642189
1-N-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine
CID 137651671
5-(3-chlorophenyl)-N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 166634270
5-(2,5-dichloropyrimidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 168283701
4-Chloro-5-methyl-7H-pyrrolo(2,3-d)pyrimidine
CID 14809282
5-(3-(2,5-dichlorophenyl)propyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 11681560
4-Chloro-3-methyl-7-azaindole
CID 17979323
2-chloro-3-methyl-1H-pyrrolo[2,3-b]pyridine
CID 19392586
((4-chloro-1H-pyrrolo(2,3-b)pyridin-3-yl)methyl)dimethylamine
CID 58364964
4-chloro-5-ethyl-7H-pyrrolo[2,3-d]pyrimidine
CID 66523125
2-(5-chloro-1H-pyrrolo(2,3-b)pyridin-3-yl)ethan-1-amine hydrochloride
CID 66832061
4-chloro-3-ethyl-1H-pyrrolo(2,3-b)pyridine hydrochloride
CID 132300843

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(3-chloropropyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-chloro-5-(3-chloropropyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine (CID 102311367) is 4-chloro-5-(3-chloropropyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-5-(3-chloropropyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-5-(3-chloropropyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine is Nc1nc(Cl)c2c(CCCCl)c[nH]c2n1.
What is the InChIKey of 4-chloro-5-(3-chloropropyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is UNLDPZBACKLADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N4/c10-3-1-2-5-4-13-8-6(5)7(11)14-9(12)15-8/h4H,1-3H2,(H3,12,13,14,15).
What are the key properties of 4-chloro-5-(3-chloropropyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
4-chloro-5-(3-chloropropyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 245.11 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(3-chloropropyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 102311367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).