5-[(1,3-dimethyl-6-propan-2-ylindol-5-yl)methyl]pyrimidine-2,4-diamine

C18H23N5 — CID 59598651

IUPAC5-[(1,3-dimethyl-6-propan-2-ylindol-5-yl)methyl]pyrimidine-2,4-diamine
SMILESCc1cn(C)c2cc(C(C)C)c(Cc3cnc(N)nc3N)cc12
InChIInChI=1S/C18H23N5/c1-10(2)14-7-16-15(11(3)9-23(16)4)6-12(14)5-13-8-21-18(20)22-17(13)19/h6-10H,5H2,1-4H3,(H4,19,20,21,22)
InChIKeySWIWUCYUGGFXEO-UHFFFAOYSA-N
MW309.42 g/mol
LogP3.16
Rot. Bonds3

About 5-[(1,3-dimethyl-6-propan-2-ylindol-5-yl)methyl]pyrimidine-2,4-diamine

5-[(1,3-dimethyl-6-propan-2-ylindol-5-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 59598651) has the molecular formula C18H23N5 and a molecular weight of 309.42 g/mol. Its IUPAC name is 5-[(1,3-dimethyl-6-propan-2-ylindol-5-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[(1,3-dimethyl-6-propan-2-ylindol-5-yl)methyl]pyrimidine-2,4-diamine
PubChem CID59598651
Molecular FormulaC18H23N5
Molecular Weight309.42 g/mol
Exact Mass309.20
IUPAC Name5-[(1,3-dimethyl-6-propan-2-ylindol-5-yl)methyl]pyrimidine-2,4-diamine
SMILESCc1cn(C)c2cc(C(C)C)c(Cc3cnc(N)nc3N)cc12
InChIInChI=1S/C18H23N5/c1-10(2)14-7-16-15(11(3)9-23(16)4)6-12(14)5-13-8-21-18(20)22-17(13)19/h6-10H,5H2,1-4H3,(H4,19,20,21,22)
InChIKeySWIWUCYUGGFXEO-UHFFFAOYSA-N
XLogP3.16
TPSA82.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(1,3-dimethyl-6-propan-2-ylindol-5-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[(1,3-dimethyl-6-propan-2-ylindol-5-yl)methyl]pyrimidine-2,4-diamine (CID 59598651) is 5-[(1,3-dimethyl-6-propan-2-ylindol-5-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[(1,3-dimethyl-6-propan-2-ylindol-5-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[(1,3-dimethyl-6-propan-2-ylindol-5-yl)methyl]pyrimidine-2,4-diamine is Cc1cn(C)c2cc(C(C)C)c(Cc3cnc(N)nc3N)cc12.
What is the InChIKey of 5-[(1,3-dimethyl-6-propan-2-ylindol-5-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is SWIWUCYUGGFXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5/c1-10(2)14-7-16-15(11(3)9-23(16)4)6-12(14)5-13-8-21-18(20)22-17(13)19/h6-10H,5H2,1-4H3,(H4,19,20,21,22).
What are the key properties of 5-[(1,3-dimethyl-6-propan-2-ylindol-5-yl)methyl]pyrimidine-2,4-diamine?
5-[(1,3-dimethyl-6-propan-2-ylindol-5-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 309.42 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,3-dimethyl-6-propan-2-ylindol-5-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 59598651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).