2-(2-cyclopropylethoxy)-6-methoxy-7-[2-(oxan-2-yl)ethyl]pyrrolo[2,3-d]pyrimidin-4-amine

C19H28N4O3 — CID 163525588

IUPAC2-(2-cyclopropylethoxy)-6-methoxy-7-[2-(oxan-2-yl)ethyl]pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCOc1cc2c(N)nc(OCCC3CC3)nc2n1CCC1CCCCO1
InChIInChI=1S/C19H28N4O3/c1-24-16-12-15-17(20)21-19(26-11-8-13-5-6-13)22-18(15)23(16)9-7-14-4-2-3-10-25-14/h12-14H,2-11H2,1H3,(H2,20,21,22)
InChIKeyDOMFLRXFCNAFAF-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.16
Rot. Bonds8

About 2-(2-cyclopropylethoxy)-6-methoxy-7-[2-(oxan-2-yl)ethyl]pyrrolo[2,3-d]pyrimidin-4-amine

2-(2-cyclopropylethoxy)-6-methoxy-7-[2-(oxan-2-yl)ethyl]pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 163525588) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-(2-cyclopropylethoxy)-6-methoxy-7-[2-(oxan-2-yl)ethyl]pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-cyclopropylethoxy)-6-methoxy-7-[2-(oxan-2-yl)ethyl]pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID163525588
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Name2-(2-cyclopropylethoxy)-6-methoxy-7-[2-(oxan-2-yl)ethyl]pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCOc1cc2c(N)nc(OCCC3CC3)nc2n1CCC1CCCCO1
InChIInChI=1S/C19H28N4O3/c1-24-16-12-15-17(20)21-19(26-11-8-13-5-6-13)22-18(15)23(16)9-7-14-4-2-3-10-25-14/h12-14H,2-11H2,1H3,(H2,20,21,22)
InChIKeyDOMFLRXFCNAFAF-UHFFFAOYSA-N
XLogP3.16
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylethoxy)-6-methoxy-7-[2-(oxan-2-yl)ethyl]pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(2-cyclopropylethoxy)-6-methoxy-7-[2-(oxan-2-yl)ethyl]pyrrolo[2,3-d]pyrimidin-4-amine (CID 163525588) is 2-(2-cyclopropylethoxy)-6-methoxy-7-[2-(oxan-2-yl)ethyl]pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(2-cyclopropylethoxy)-6-methoxy-7-[2-(oxan-2-yl)ethyl]pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(2-cyclopropylethoxy)-6-methoxy-7-[2-(oxan-2-yl)ethyl]pyrrolo[2,3-d]pyrimidin-4-amine is COc1cc2c(N)nc(OCCC3CC3)nc2n1CCC1CCCCO1.
What is the InChIKey of 2-(2-cyclopropylethoxy)-6-methoxy-7-[2-(oxan-2-yl)ethyl]pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is DOMFLRXFCNAFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-24-16-12-15-17(20)21-19(26-11-8-13-5-6-13)22-18(15)23(16)9-7-14-4-2-3-10-25-14/h12-14H,2-11H2,1H3,(H2,20,21,22).
What are the key properties of 2-(2-cyclopropylethoxy)-6-methoxy-7-[2-(oxan-2-yl)ethyl]pyrrolo[2,3-d]pyrimidin-4-amine?
2-(2-cyclopropylethoxy)-6-methoxy-7-[2-(oxan-2-yl)ethyl]pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 360.46 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylethoxy)-6-methoxy-7-[2-(oxan-2-yl)ethyl]pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 163525588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).