4-N-[2-[di(propan-2-yl)amino]ethyl]-6-(1H-indol-5-yl)pyrimidine-2,4-diamine

C20H28N6 — CID 117093204

IUPAC4-N-[2-[di(propan-2-yl)amino]ethyl]-6-(1H-indol-5-yl)pyrimidine-2,4-diamine
SMILESCC(C)N(CCNc1cc(-c2ccc3[nH]ccc3c2)nc(N)n1)C(C)C
InChIInChI=1S/C20H28N6/c1-13(2)26(14(3)4)10-9-23-19-12-18(24-20(21)25-19)15-5-6-17-16(11-15)7-8-22-17/h5-8,11-14,22H,9-10H2,1-4H3,(H3,21,23,24,25)
InChIKeyQSNKORMUKMXGGD-UHFFFAOYSA-N
MW352.49 g/mol
LogP3.74
Rot. Bonds7

About 4-N-[2-[di(propan-2-yl)amino]ethyl]-6-(1H-indol-5-yl)pyrimidine-2,4-diamine

4-N-[2-[di(propan-2-yl)amino]ethyl]-6-(1H-indol-5-yl)pyrimidine-2,4-diamine (PubChem CID 117093204) has the molecular formula C20H28N6 and a molecular weight of 352.49 g/mol. Its IUPAC name is 4-N-[2-[di(propan-2-yl)amino]ethyl]-6-(1H-indol-5-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-[di(propan-2-yl)amino]ethyl]-6-(1H-indol-5-yl)pyrimidine-2,4-diamine
PubChem CID117093204
Molecular FormulaC20H28N6
Molecular Weight352.49 g/mol
Exact Mass352.24
IUPAC Name4-N-[2-[di(propan-2-yl)amino]ethyl]-6-(1H-indol-5-yl)pyrimidine-2,4-diamine
SMILESCC(C)N(CCNc1cc(-c2ccc3[nH]ccc3c2)nc(N)n1)C(C)C
InChIInChI=1S/C20H28N6/c1-13(2)26(14(3)4)10-9-23-19-12-18(24-20(21)25-19)15-5-6-17-16(11-15)7-8-22-17/h5-8,11-14,22H,9-10H2,1-4H3,(H3,21,23,24,25)
InChIKeyQSNKORMUKMXGGD-UHFFFAOYSA-N
XLogP3.74
TPSA82.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.49
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-[2-[di(propan-2-yl)amino]ethyl]-6-(1H-indol-5-yl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[2-[di(propan-2-yl)amino]ethyl]-6-(1H-indol-5-yl)pyrimidine-2,4-diamine (CID 117093204) is 4-N-[2-[di(propan-2-yl)amino]ethyl]-6-(1H-indol-5-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[2-[di(propan-2-yl)amino]ethyl]-6-(1H-indol-5-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[2-[di(propan-2-yl)amino]ethyl]-6-(1H-indol-5-yl)pyrimidine-2,4-diamine is CC(C)N(CCNc1cc(-c2ccc3[nH]ccc3c2)nc(N)n1)C(C)C.
What is the InChIKey of 4-N-[2-[di(propan-2-yl)amino]ethyl]-6-(1H-indol-5-yl)pyrimidine-2,4-diamine?
The InChIKey is QSNKORMUKMXGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6/c1-13(2)26(14(3)4)10-9-23-19-12-18(24-20(21)25-19)15-5-6-17-16(11-15)7-8-22-17/h5-8,11-14,22H,9-10H2,1-4H3,(H3,21,23,24,25).
What are the key properties of 4-N-[2-[di(propan-2-yl)amino]ethyl]-6-(1H-indol-5-yl)pyrimidine-2,4-diamine?
4-N-[2-[di(propan-2-yl)amino]ethyl]-6-(1H-indol-5-yl)pyrimidine-2,4-diamine has a molecular weight of 352.49 g/mol, XLogP of 3.74, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-[di(propan-2-yl)amino]ethyl]-6-(1H-indol-5-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 117093204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).