6-[2-[(7-chloroquinolin-4-yl)amino]propoxy]pyrimidine-2,4-diamine

C16H17ClN6O — CID 71508273

IUPAC6-[2-[(7-chloroquinolin-4-yl)amino]propoxy]pyrimidine-2,4-diamine
SMILESCC(COc1cc(N)nc(N)n1)Nc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C16H17ClN6O/c1-9(8-24-15-7-14(18)22-16(19)23-15)21-12-4-5-20-13-6-10(17)2-3-11(12)13/h2-7,9H,8H2,1H3,(H,20,21)(H4,18,19,22,23)
InChIKeyNBHUCVPUORNBFT-UHFFFAOYSA-N
MW344.81 g/mol
LogP2.72
Rot. Bonds5

About 6-[2-[(7-chloroquinolin-4-yl)amino]propoxy]pyrimidine-2,4-diamine

6-[2-[(7-chloroquinolin-4-yl)amino]propoxy]pyrimidine-2,4-diamine (PubChem CID 71508273) has the molecular formula C16H17ClN6O and a molecular weight of 344.81 g/mol. Its IUPAC name is 6-[2-[(7-chloroquinolin-4-yl)amino]propoxy]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-[2-[(7-chloroquinolin-4-yl)amino]propoxy]pyrimidine-2,4-diamine
PubChem CID71508273
Molecular FormulaC16H17ClN6O
Molecular Weight344.81 g/mol
Exact Mass344.12
IUPAC Name6-[2-[(7-chloroquinolin-4-yl)amino]propoxy]pyrimidine-2,4-diamine
SMILESCC(COc1cc(N)nc(N)n1)Nc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C16H17ClN6O/c1-9(8-24-15-7-14(18)22-16(19)23-15)21-12-4-5-20-13-6-10(17)2-3-11(12)13/h2-7,9H,8H2,1H3,(H,20,21)(H4,18,19,22,23)
InChIKeyNBHUCVPUORNBFT-UHFFFAOYSA-N
XLogP2.72
TPSA111.97 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.81
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[(7-chloroquinolin-4-yl)amino]propoxy]pyrimidine-2,4-diamine?
The IUPAC name of 6-[2-[(7-chloroquinolin-4-yl)amino]propoxy]pyrimidine-2,4-diamine (CID 71508273) is 6-[2-[(7-chloroquinolin-4-yl)amino]propoxy]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-[2-[(7-chloroquinolin-4-yl)amino]propoxy]pyrimidine-2,4-diamine?
The canonical SMILES for 6-[2-[(7-chloroquinolin-4-yl)amino]propoxy]pyrimidine-2,4-diamine is CC(COc1cc(N)nc(N)n1)Nc1ccnc2cc(Cl)ccc12.
What is the InChIKey of 6-[2-[(7-chloroquinolin-4-yl)amino]propoxy]pyrimidine-2,4-diamine?
The InChIKey is NBHUCVPUORNBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN6O/c1-9(8-24-15-7-14(18)22-16(19)23-15)21-12-4-5-20-13-6-10(17)2-3-11(12)13/h2-7,9H,8H2,1H3,(H,20,21)(H4,18,19,22,23).
What are the key properties of 6-[2-[(7-chloroquinolin-4-yl)amino]propoxy]pyrimidine-2,4-diamine?
6-[2-[(7-chloroquinolin-4-yl)amino]propoxy]pyrimidine-2,4-diamine has a molecular weight of 344.81 g/mol, XLogP of 2.72, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(7-chloroquinolin-4-yl)amino]propoxy]pyrimidine-2,4-diamine is sourced from PubChem (CID 71508273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).