2-N-[4-(2-aminopropan-2-yl)phenyl]-4-N-cyclopropylfuro[3,2-d]pyrimidine-2,4-diamine

C18H21N5O — CID 67129995

IUPAC2-N-[4-(2-aminopropan-2-yl)phenyl]-4-N-cyclopropylfuro[3,2-d]pyrimidine-2,4-diamine
SMILESCC(C)(N)c1ccc(Nc2nc(NC3CC3)c3occc3n2)cc1
InChIInChI=1S/C18H21N5O/c1-18(2,19)11-3-5-13(6-4-11)21-17-22-14-9-10-24-15(14)16(23-17)20-12-7-8-12/h3-6,9-10,12H,7-8,19H2,1-2H3,(H2,20,21,22,23)
InChIKeyNAHJBNKOXJJKAG-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.73
Rot. Bonds5

About 2-N-[4-(2-aminopropan-2-yl)phenyl]-4-N-cyclopropylfuro[3,2-d]pyrimidine-2,4-diamine

2-N-[4-(2-aminopropan-2-yl)phenyl]-4-N-cyclopropylfuro[3,2-d]pyrimidine-2,4-diamine (PubChem CID 67129995) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-N-[4-(2-aminopropan-2-yl)phenyl]-4-N-cyclopropylfuro[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[4-(2-aminopropan-2-yl)phenyl]-4-N-cyclopropylfuro[3,2-d]pyrimidine-2,4-diamine
PubChem CID67129995
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name2-N-[4-(2-aminopropan-2-yl)phenyl]-4-N-cyclopropylfuro[3,2-d]pyrimidine-2,4-diamine
SMILESCC(C)(N)c1ccc(Nc2nc(NC3CC3)c3occc3n2)cc1
InChIInChI=1S/C18H21N5O/c1-18(2,19)11-3-5-13(6-4-11)21-17-22-14-9-10-24-15(14)16(23-17)20-12-7-8-12/h3-6,9-10,12H,7-8,19H2,1-2H3,(H2,20,21,22,23)
InChIKeyNAHJBNKOXJJKAG-UHFFFAOYSA-N
XLogP3.73
TPSA89.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-[4-(2-aminopropan-2-yl)phenyl]-4-N-cyclopropylfuro[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[4-(2-aminopropan-2-yl)phenyl]-4-N-cyclopropylfuro[3,2-d]pyrimidine-2,4-diamine (CID 67129995) is 2-N-[4-(2-aminopropan-2-yl)phenyl]-4-N-cyclopropylfuro[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[4-(2-aminopropan-2-yl)phenyl]-4-N-cyclopropylfuro[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[4-(2-aminopropan-2-yl)phenyl]-4-N-cyclopropylfuro[3,2-d]pyrimidine-2,4-diamine is CC(C)(N)c1ccc(Nc2nc(NC3CC3)c3occc3n2)cc1.
What is the InChIKey of 2-N-[4-(2-aminopropan-2-yl)phenyl]-4-N-cyclopropylfuro[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is NAHJBNKOXJJKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-18(2,19)11-3-5-13(6-4-11)21-17-22-14-9-10-24-15(14)16(23-17)20-12-7-8-12/h3-6,9-10,12H,7-8,19H2,1-2H3,(H2,20,21,22,23).
What are the key properties of 2-N-[4-(2-aminopropan-2-yl)phenyl]-4-N-cyclopropylfuro[3,2-d]pyrimidine-2,4-diamine?
2-N-[4-(2-aminopropan-2-yl)phenyl]-4-N-cyclopropylfuro[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 323.40 g/mol, XLogP of 3.73, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4-(2-aminopropan-2-yl)phenyl]-4-N-cyclopropylfuro[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 67129995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).