4-chloro-6-cyclopentyloxy-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7H-pteridin-2-amine

C20H25ClN6O2 — CID 45267193

IUPAC4-chloro-6-cyclopentyloxy-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7H-pteridin-2-amine
SMILESCOc1c(C)cnc(CN2CC(OC3CCCC3)=Nc3c(Cl)nc(N)nc32)c1C
InChIInChI=1S/C20H25ClN6O2/c1-11-8-23-14(12(2)17(11)28-3)9-27-10-15(29-13-6-4-5-7-13)24-16-18(21)25-20(22)26-19(16)27/h8,13H,4-7,9-10H2,1-3H3,(H2,22,25,26)
InChIKeyMKBWNXUGDUFIHX-UHFFFAOYSA-N
MW416.91 g/mol
LogP3.74
Rot. Bonds4

About 4-chloro-6-cyclopentyloxy-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7H-pteridin-2-amine

4-chloro-6-cyclopentyloxy-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7H-pteridin-2-amine (PubChem CID 45267193) has the molecular formula C20H25ClN6O2 and a molecular weight of 416.91 g/mol. Its IUPAC name is 4-chloro-6-cyclopentyloxy-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7H-pteridin-2-amine.

Molecular Properties

Compound Name4-chloro-6-cyclopentyloxy-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7H-pteridin-2-amine
PubChem CID45267193
Molecular FormulaC20H25ClN6O2
Molecular Weight416.91 g/mol
Exact Mass416.17
IUPAC Name4-chloro-6-cyclopentyloxy-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7H-pteridin-2-amine
SMILESCOc1c(C)cnc(CN2CC(OC3CCCC3)=Nc3c(Cl)nc(N)nc32)c1C
InChIInChI=1S/C20H25ClN6O2/c1-11-8-23-14(12(2)17(11)28-3)9-27-10-15(29-13-6-4-5-7-13)24-16-18(21)25-20(22)26-19(16)27/h8,13H,4-7,9-10H2,1-3H3,(H2,22,25,26)
InChIKeyMKBWNXUGDUFIHX-UHFFFAOYSA-N
XLogP3.74
TPSA98.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.91
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-cyclopentyloxy-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7H-pteridin-2-amine?
The IUPAC name of 4-chloro-6-cyclopentyloxy-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7H-pteridin-2-amine (CID 45267193) is 4-chloro-6-cyclopentyloxy-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7H-pteridin-2-amine.
What is the SMILES notation for 4-chloro-6-cyclopentyloxy-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7H-pteridin-2-amine?
The canonical SMILES for 4-chloro-6-cyclopentyloxy-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7H-pteridin-2-amine is COc1c(C)cnc(CN2CC(OC3CCCC3)=Nc3c(Cl)nc(N)nc32)c1C.
What is the InChIKey of 4-chloro-6-cyclopentyloxy-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7H-pteridin-2-amine?
The InChIKey is MKBWNXUGDUFIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN6O2/c1-11-8-23-14(12(2)17(11)28-3)9-27-10-15(29-13-6-4-5-7-13)24-16-18(21)25-20(22)26-19(16)27/h8,13H,4-7,9-10H2,1-3H3,(H2,22,25,26).
What are the key properties of 4-chloro-6-cyclopentyloxy-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7H-pteridin-2-amine?
4-chloro-6-cyclopentyloxy-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7H-pteridin-2-amine has a molecular weight of 416.91 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-cyclopentyloxy-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7H-pteridin-2-amine is sourced from PubChem (CID 45267193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).