5-[(3-methyl-5-propan-2-yl-1H-indol-6-yl)oxy]pyrimidine-2,4-diamine

C16H19N5O — CID 141170810

IUPAC5-[(3-methyl-5-propan-2-yl-1H-indol-6-yl)oxy]pyrimidine-2,4-diamine
SMILESCc1c[nH]c2cc(Oc3cnc(N)nc3N)c(C(C)C)cc12
InChIInChI=1S/C16H19N5O/c1-8(2)10-4-11-9(3)6-19-12(11)5-13(10)22-14-7-20-16(18)21-15(14)17/h4-8,19H,1-3H3,(H4,17,18,20,21)
InChIKeyYEPMHIWKHKXWRX-UHFFFAOYSA-N
MW297.36 g/mol
LogP3.35
Rot. Bonds3

About 5-[(3-methyl-5-propan-2-yl-1H-indol-6-yl)oxy]pyrimidine-2,4-diamine

5-[(3-methyl-5-propan-2-yl-1H-indol-6-yl)oxy]pyrimidine-2,4-diamine (PubChem CID 141170810) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is 5-[(3-methyl-5-propan-2-yl-1H-indol-6-yl)oxy]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[(3-methyl-5-propan-2-yl-1H-indol-6-yl)oxy]pyrimidine-2,4-diamine
PubChem CID141170810
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name5-[(3-methyl-5-propan-2-yl-1H-indol-6-yl)oxy]pyrimidine-2,4-diamine
SMILESCc1c[nH]c2cc(Oc3cnc(N)nc3N)c(C(C)C)cc12
InChIInChI=1S/C16H19N5O/c1-8(2)10-4-11-9(3)6-19-12(11)5-13(10)22-14-7-20-16(18)21-15(14)17/h4-8,19H,1-3H3,(H4,17,18,20,21)
InChIKeyYEPMHIWKHKXWRX-UHFFFAOYSA-N
XLogP3.35
TPSA102.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(5-methyl-3-propan-2-ylnaphthalen-2-yl)oxypyrimidine-2,4-diamine
CID 58826988
4-(2,4-diaminopyrimidin-5-yl)oxy-2-methyl-5-propan-2-ylphenol
CID 71206317
N-[5-(2,4-diaminopyrimidin-5-yl)oxy-2-methyl-4-propan-2-ylphenyl]thiohydroxylamine
CID 158412823
5-(2,4-diaminopyrimidin-5-yl)oxy-2-iodo-4-propan-2-ylbenzenesulfonamide
CID 129106128
amino-[5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-4-propan-2-ylphenyl]methanol
CID 163788911
5-[(5-propan-2-yl-2-prop-1-ynyl-4-pyridinyl)oxy]pyrimidine-2,4-diamine
CID 147504835
5-(4-methoxy-5-nitroso-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine
CID 88966587
5-[4-(2-aminoethoxy)-5-iodo-2-propan-2-ylphenoxy]pyrimidine-2,4-diamine
CID 126513190
N-[5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-4-propan-2-ylphenyl]thiohydroxylamine
CID 59598712
5-(2,5-dimethylphenoxy)pyrimidine-2,4-diamine
CID 71212910
5-[5-[(dimethylamino)methyl]-4-methoxy-2-propan-2-ylphenoxy]pyrimidine-2,4-diamine
CID 155471079
5-[(6-methoxy-5-methyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine
CID 130435933

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methyl-5-propan-2-yl-1H-indol-6-yl)oxy]pyrimidine-2,4-diamine?
The IUPAC name of 5-[(3-methyl-5-propan-2-yl-1H-indol-6-yl)oxy]pyrimidine-2,4-diamine (CID 141170810) is 5-[(3-methyl-5-propan-2-yl-1H-indol-6-yl)oxy]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[(3-methyl-5-propan-2-yl-1H-indol-6-yl)oxy]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[(3-methyl-5-propan-2-yl-1H-indol-6-yl)oxy]pyrimidine-2,4-diamine is Cc1c[nH]c2cc(Oc3cnc(N)nc3N)c(C(C)C)cc12.
What is the InChIKey of 5-[(3-methyl-5-propan-2-yl-1H-indol-6-yl)oxy]pyrimidine-2,4-diamine?
The InChIKey is YEPMHIWKHKXWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-8(2)10-4-11-9(3)6-19-12(11)5-13(10)22-14-7-20-16(18)21-15(14)17/h4-8,19H,1-3H3,(H4,17,18,20,21).
What are the key properties of 5-[(3-methyl-5-propan-2-yl-1H-indol-6-yl)oxy]pyrimidine-2,4-diamine?
5-[(3-methyl-5-propan-2-yl-1H-indol-6-yl)oxy]pyrimidine-2,4-diamine has a molecular weight of 297.36 g/mol, XLogP of 3.35, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methyl-5-propan-2-yl-1H-indol-6-yl)oxy]pyrimidine-2,4-diamine is sourced from PubChem (CID 141170810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).