N-(2,2-dimethoxyethyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C12H18N4O2 — CID 110430260

IUPACN-(2,2-dimethoxyethyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCOC(CNc1nc(C)nc2[nH]c(C)cc12)OC
InChIInChI=1S/C12H18N4O2/c1-7-5-9-11(13-6-10(17-3)18-4)15-8(2)16-12(9)14-7/h5,10H,6H2,1-4H3,(H2,13,14,15,16)
InChIKeyBBWJVKZWPZJVNK-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.61
Rot. Bonds5

About N-(2,2-dimethoxyethyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-(2,2-dimethoxyethyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 110430260) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID110430260
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC NameN-(2,2-dimethoxyethyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCOC(CNc1nc(C)nc2[nH]c(C)cc12)OC
InChIInChI=1S/C12H18N4O2/c1-7-5-9-11(13-6-10(17-3)18-4)15-8(2)16-12(9)14-7/h5,10H,6H2,1-4H3,(H2,13,14,15,16)
InChIKeyBBWJVKZWPZJVNK-UHFFFAOYSA-N
XLogP1.61
TPSA72.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(2,2-dimethoxyethyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 110430260) is N-(2,2-dimethoxyethyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(2,2-dimethoxyethyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is COC(CNc1nc(C)nc2[nH]c(C)cc12)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is BBWJVKZWPZJVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-7-5-9-11(13-6-10(17-3)18-4)15-8(2)16-12(9)14-7/h5,10H,6H2,1-4H3,(H2,13,14,15,16).
What are the key properties of N-(2,2-dimethoxyethyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-(2,2-dimethoxyethyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 250.30 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 110430260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).